CID 454012

1-(2-aminopurin-9-yl)propan-2-ol

Structural Information

Molecular Formula
C8H11N5O
SMILES
CC(CN1C=NC2=CN=C(N=C21)N)O
InChI
InChI=1S/C8H11N5O/c1-5(14)3-13-4-11-6-2-10-8(9)12-7(6)13/h2,4-5,14H,3H2,1H3,(H2,9,10,12)
InChIKey
OZTZQMHNPANQTG-UHFFFAOYSA-N
Compound name
1-(2-aminopurin-9-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09636 Da
Monoisotopic Mass

-0.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.