CID 445211

14047-28-0

Structural Information

Molecular Formula
C8H11N5O
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1
InChIKey
MJZYTEBKXLVLMY-RXMQYKEDSA-N
Compound name
(2R)-1-(6-aminopurin-9-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

361
Patents

193.09636 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.103636 140.9
[M+Na]+ 216.085578 151.5
[M-H]- 192.089084 139.5
[M+NH4]+ 211.130183 157.1
[M+K]+ 232.059518 148.0
[M+H-H2O]+ 176.093620 132.7
[M+HCOO]- 238.094561 160.7
[M+CH3COO]- 252.110211 153.1
[M+Na-2H]- 214.071026 147.5
[M]+ 193.09581142 141.6
[M]- 193.09690858 141.6
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

patents stripe