CID 135415591

2-amino-9-cyclopenta-1,3-dien-1-yl-1h-purin-6-one

Structural Information

Molecular Formula
C10H9N5O
SMILES
C1C=CC=C1N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C10H9N5O/c11-10-13-8-7(9(16)14-10)12-5-15(8)6-3-1-2-4-6/h1-3,5H,4H2,(H3,11,13,14,16)
InChIKey
VOAYVGSFMKOXPZ-UHFFFAOYSA-N
Compound name
2-amino-9-cyclopenta-1,3-dien-1-yl-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.0807 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.087976 143.4
[M+Na]+ 238.069918 155.7
[M-H]- 214.073424 146.2
[M+NH4]+ 233.114523 160.4
[M+K]+ 254.043858 150.5
[M+H-H2O]+ 198.077960 135.0
[M+HCOO]- 260.078901 166.1
[M+CH3COO]- 274.094551 156.6
[M+Na-2H]- 236.055366 148.9
[M]+ 215.08015142 143.7
[M]- 215.08124858 143.7
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

No patent data available for this compound.