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]+ 162.066186 132.9
[M+Na]+ 184.048128 145.1
[M-H]- 160.051634 133.4
[M+NH4]+ 179.092733 152.8
[M+K]+ 200.022068 140.5
[M+H-H2O]+ 144.056170 120.0
[M+HCOO]- 206.057111 150.4
[M+CH3COO]- 220.072761 145.1
[M+Na-2H]- 182.033576 135.9
[M]+ 161.05836142 127.2
[M]- 161.05945858 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.