CID 453677

Nsc650985

Structural Information

Molecular Formula
C12H17N5O2
SMILES
C1[C@@H]([C@H](CC1N2C=NC3=C(N=CN=C32)N)CO)CO
InChI
InChI=1S/C12H17N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)9-1-7(3-18)8(2-9)4-19/h5-9,18-19H,1-4H2,(H2,13,14,15)/t7-,8-/m1/s1
InChIKey
VGWKBOANWOGLKM-HTQZYQBOSA-N
Compound name
[(1S,2S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.1382 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14548 158.8
[M+Na]+ 286.12742 168.1
[M-H]- 262.13092 159.5
[M+NH4]+ 281.17202 173.2
[M+K]+ 302.10136 163.3
[M+H-H2O]+ 246.13546 150.3
[M+HCOO]- 308.13640 176.4
[M+CH3COO]- 322.15205 169.4
[M+Na-2H]- 284.11287 160.2
[M]+ 263.13765 157.6
[M]- 263.13875 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.