PubChemLite - 8-bromo-camp (C10H11BrN5O6P)

Structural Information

Molecular Formula

SMILES

C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3Br)N)O)OP(=O)(O1)O

InChI

InChI=1S/C10H11BrN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/t3-,5-,6-,9-/m1/s1

InChIKey

DVKQVRZMKBDMDH-UUOKFMHZSA-N

Compound name

(4aR,6R,7R,7aS)-6-(6-amino-8-bromopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	407.97032	190.8
[M+Na]+	429.95226	191.3
[M+NH4]+	424.99686	192.3
[M+K]+	445.92620	197.1
[M-H]-	405.95576	191.7
[M+Na-2H]-	427.93771	187.0
[M]+	406.96249	189.7
[M]-	406.96359	189.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

407.97032

190.8

[M+Na]+

429.95226

191.3

[M+NH4]+

424.99686

192.3

[M+K]+

445.92620

197.1

[M-H]-

405.95576

191.7

[M+Na-2H]-

427.93771

187.0

[M]+

406.96249

189.7

[M]-

406.96359

189.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

8-bromo-camp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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