CID 58970104

1824666-77-4

Structural Information

Molecular Formula
C7H9N3O
SMILES
CC1=NC=C2N1CCNC2=O
InChI
InChI=1S/C7H9N3O/c1-5-9-4-6-7(11)8-2-3-10(5)6/h4H,2-3H2,1H3,(H,8,11)
InChIKey
DAIFDOQXXYPIFM-UHFFFAOYSA-N
Compound name
3-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

151.07455 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 131.2
[M+Na]+ 174.063768 140.6
[M-H]- 150.067274 130.4
[M+NH4]+ 169.108373 150.7
[M+K]+ 190.037708 137.6
[M+H-H2O]+ 134.071810 124.0
[M+HCOO]- 196.072751 149.1
[M+CH3COO]- 210.088401 143.9
[M+Na-2H]- 172.049216 136.8
[M]+ 151.07400142 128.2
[M]- 151.07509858 128.2
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

patents stripe