CID 454017

20776-34-5

Structural Information

Molecular Formula
C8H11N5O
SMILES
CC(CO)N1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C8H11N5O/c1-5(2-14)13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)
InChIKey
NMBLSWKTQBVMBR-UHFFFAOYSA-N
Compound name
2-(6-aminopurin-9-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

193.09636 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10364 140.9
[M+Na]+ 216.08558 151.5
[M-H]- 192.08908 139.5
[M+NH4]+ 211.13018 157.1
[M+K]+ 232.05952 148.0
[M+H-H2O]+ 176.09362 132.7
[M+HCOO]- 238.09456 160.7
[M+CH3COO]- 252.11021 153.1
[M+Na-2H]- 214.07103 147.5
[M]+ 193.09581 141.6
[M]- 193.09691 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.