CID 119057093

5-methyl-5h,6h,7h-pyrrolo[1,2-a]imidazol-7-one

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC1CC(=O)C2=NC=CN12
InChI
InChI=1S/C7H8N2O/c1-5-4-6(10)7-8-2-3-9(5)7/h2-3,5H,4H2,1H3
InChIKey
IQIIUWFCINCETH-UHFFFAOYSA-N
Compound name
5-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 125.9
[M+Na]+ 159.05288 136.5
[M-H]- 135.05638 128.5
[M+NH4]+ 154.09748 150.0
[M+K]+ 175.02682 135.0
[M+H-H2O]+ 119.06092 120.0
[M+HCOO]- 181.06186 148.9
[M+CH3COO]- 195.07751 172.3
[M+Na-2H]- 157.03833 130.6
[M]+ 136.06311 126.5
[M]- 136.06421 126.5
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.