CID 135415585

22917-85-7

Structural Information

Molecular Formula
C8H11N5O
SMILES
CCCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C8H11N5O/c1-2-3-13-4-10-5-6(13)11-8(9)12-7(5)14/h4H,2-3H2,1H3,(H3,9,11,12,14)
InChIKey
OSFDSLRVYKUBOP-UHFFFAOYSA-N
Compound name
2-amino-9-propyl-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

675
Patents

193.09636 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10364 140.9
[M+Na]+ 216.08558 153.0
[M-H]- 192.08908 139.7
[M+NH4]+ 211.13018 157.4
[M+K]+ 232.05952 148.3
[M+H-H2O]+ 176.09362 132.9
[M+HCOO]- 238.09456 161.8
[M+CH3COO]- 252.11021 153.6
[M+Na-2H]- 214.07103 147.7
[M]+ 193.09581 141.9
[M]- 193.09691 141.9
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