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]+ 165.10224 139.5
[M+Na]+ 187.08418 149.7
[M-H]- 163.08768 144.5
[M+NH4]+ 182.12878 154.5
[M+K]+ 203.05812 146.5
[M+H-H2O]+ 147.09222 131.8
[M+HCOO]- 209.09316 161.9
[M+CH3COO]- 223.10881 181.8
[M+Na-2H]- 185.06963 143.3
[M]+ 164.09441 142.5
[M]- 164.09551 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.