CID 454016

3-(2-aminopurin-9-yl)propan-1-ol

Structural Information

Molecular Formula
C8H11N5O
SMILES
C1=C2C(=NC(=N1)N)N(C=N2)CCCO
InChI
InChI=1S/C8H11N5O/c9-8-10-4-6-7(12-8)13(5-11-6)2-1-3-14/h4-5,14H,1-3H2,(H2,9,10,12)
InChIKey
UQPIQIVESRBACG-UHFFFAOYSA-N
Compound name
3-(2-aminopurin-9-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09636 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10364 140.2
[M+Na]+ 216.08558 151.1
[M-H]- 192.08908 138.6
[M+NH4]+ 211.13018 156.4
[M+K]+ 232.05952 147.1
[M+H-H2O]+ 176.09362 131.9
[M+HCOO]- 238.09456 161.1
[M+CH3COO]- 252.11021 152.6
[M+Na-2H]- 214.07103 148.0
[M]+ 193.09581 141.5
[M]- 193.09691 141.5
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.