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]+ 137.070936 125.9
[M+Na]+ 159.052878 136.5
[M-H]- 135.056384 128.5
[M+NH4]+ 154.097483 150.0
[M+K]+ 175.026818 135.0
[M+H-H2O]+ 119.060920 120.0
[M+HCOO]- 181.061861 148.9
[M+CH3COO]- 195.077511 172.3
[M+Na-2H]- 157.038326 130.6
[M]+ 136.06311142 126.5
[M]- 136.06420858 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.