CID 60758007

2460749-53-3

Structural Information

Molecular Formula
C9H12N2O
SMILES
CN1C=CN=C1CC(=O)C2CC2
InChI
InChI=1S/C9H12N2O/c1-11-5-4-10-9(11)6-8(12)7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKey
UTVJSJRJEHHANG-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 139.5
[M+Na]+ 187.084178 149.7
[M-H]- 163.087684 144.5
[M+NH4]+ 182.128783 154.5
[M+K]+ 203.058118 146.5
[M+H-H2O]+ 147.092220 131.8
[M+HCOO]- 209.093161 161.9
[M+CH3COO]- 223.108811 181.8
[M+Na-2H]- 185.069626 143.3
[M]+ 164.09441142 142.5
[M]- 164.09550858 142.5
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.