CID 545333

1-(trimethylacetyl)imidazole

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC(C)(C)C(=O)N1C=CN=C1
InChI
InChI=1S/C8H12N2O/c1-8(2,3)7(11)10-5-4-9-6-10/h4-6H,1-3H3
InChIKey
BJUOCCZDOGJHPV-UHFFFAOYSA-N
Compound name
1-imidazol-1-yl-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

152.09496 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 133.3
[M+Na]+ 175.08418 143.9
[M+NH4]+ 170.12878 140.5
[M+K]+ 191.05812 141.3
[M-H]- 151.08768 132.4
[M+Na-2H]- 173.06963 138.4
[M]+ 152.09441 134.3
[M]- 152.09551 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe