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

9
Patents

151.07455 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 131.2
[M+Na]+ 174.06377 140.6
[M-H]- 150.06727 130.4
[M+NH4]+ 169.10837 150.7
[M+K]+ 190.03771 137.6
[M+H-H2O]+ 134.07181 124.0
[M+HCOO]- 196.07275 149.1
[M+CH3COO]- 210.08840 143.9
[M+Na-2H]- 172.04922 136.8
[M]+ 151.07400 128.2
[M]- 151.07510 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