CID 45088691

565453-80-7

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC1C(=O)NC2=CC(=CN12)C#N
InChI
InChI=1S/C8H7N3O/c1-5-8(12)10-7-2-6(3-9)4-11(5)7/h2,4-5H,1H3,(H,10,12)
InChIKey
REDXEZJAVOEZAO-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-1,3-dihydropyrrolo[1,2-a]imidazole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.05891 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 132.9
[M+Na]+ 184.04813 145.1
[M-H]- 160.05163 133.4
[M+NH4]+ 179.09273 152.8
[M+K]+ 200.02207 140.5
[M+H-H2O]+ 144.05617 120.0
[M+HCOO]- 206.05711 150.4
[M+CH3COO]- 220.07276 145.1
[M+Na-2H]- 182.03358 135.9
[M]+ 161.05836 127.2
[M]- 161.05946 127.2
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

No patent data available for this compound.