CID 55276476

951626-36-1

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1CN2C=NC=C2C(=O)N1
InChI
InChI=1S/C6H7N3O/c10-6-5-3-7-4-9(5)2-1-8-6/h3-4H,1-2H2,(H,8,10)
InChIKey
WXWQYMIMMRLBAN-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

137.05891 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 126.3
[M+Na]+ 160.04813 135.2
[M-H]- 136.05163 125.4
[M+NH4]+ 155.09273 146.1
[M+K]+ 176.02207 132.6
[M+H-H2O]+ 120.05617 119.0
[M+HCOO]- 182.05711 144.6
[M+CH3COO]- 196.07276 139.1
[M+Na-2H]- 158.03358 133.3
[M]+ 137.05836 122.7
[M]- 137.05946 122.7
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

patents stripe