CID 21028287

1093114-88-5

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC1=C(N(C(=N1)C(=O)C)C)C
InChI
InChI=1S/C8H12N2O/c1-5-6(2)10(4)8(9-5)7(3)11/h1-4H3
InChIKey
AGLJRZFEVAQVBX-UHFFFAOYSA-N
Compound name
1-(1,4,5-trimethylimidazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

152.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 130.4
[M+Na]+ 175.084178 141.1
[M-H]- 151.087684 132.4
[M+NH4]+ 170.128783 151.6
[M+K]+ 191.058118 139.9
[M+H-H2O]+ 135.092220 124.4
[M+HCOO]- 197.093161 152.9
[M+CH3COO]- 211.108811 179.2
[M+Na-2H]- 173.069626 133.6
[M]+ 152.09441142 133.0
[M]- 152.09550858 133.0
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

patents stripe