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]+ 194.103636 140.2
[M+Na]+ 216.085578 151.1
[M-H]- 192.089084 138.6
[M+NH4]+ 211.130183 156.4
[M+K]+ 232.059518 147.1
[M+H-H2O]+ 176.093620 131.9
[M+HCOO]- 238.094561 161.1
[M+CH3COO]- 252.110211 152.6
[M+Na-2H]- 214.071026 148.0
[M]+ 193.09581142 141.5
[M]- 193.09690858 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.