CID 14339671

85692-37-1

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC(=O)C1=NC=CN1C
InChI
InChI=1S/C6H8N2O/c1-5(9)6-7-3-4-8(6)2/h3-4H,1-2H3
InChIKey
IZVOHCMELOUFRA-UHFFFAOYSA-N
Compound name
1-(1-methylimidazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

179
Patents

124.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 122.6
[M+Na]+ 147.05288 132.3
[M-H]- 123.05638 124.1
[M+NH4]+ 142.09748 144.2
[M+K]+ 163.02682 131.6
[M+H-H2O]+ 107.06092 116.2
[M+HCOO]- 169.06186 145.7
[M+CH3COO]- 183.07751 170.9
[M+Na-2H]- 145.03833 128.1
[M]+ 124.06311 123.7
[M]- 124.06421 123.7
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