CID 60758001

1338954-25-8

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC(C)C(=O)CC1=NC=CN1C
InChI
InChI=1S/C9H14N2O/c1-7(2)8(12)6-9-10-4-5-11(9)3/h4-5,7H,6H2,1-3H3
InChIKey
OPDLYJREQBFOAI-UHFFFAOYSA-N
Compound name
3-methyl-1-(1-methylimidazol-2-yl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 136.7
[M+Na]+ 189.099828 144.8
[M-H]- 165.103334 137.9
[M+NH4]+ 184.144433 156.6
[M+K]+ 205.073768 143.9
[M+H-H2O]+ 149.107870 129.9
[M+HCOO]- 211.108811 157.9
[M+CH3COO]- 225.124461 180.8
[M+Na-2H]- 187.085276 139.4
[M]+ 166.11006142 138.3
[M]- 166.11115858 138.3
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.