CID 15210946

1-(1h-imidazol-2-yl)propan-1-one

Structural Information

Molecular Formula
C6H8N2O
SMILES
CCC(=O)C1=NC=CN1
InChI
InChI=1S/C6H8N2O/c1-2-5(9)6-7-3-4-8-6/h3-4H,2H2,1H3,(H,7,8)
InChIKey
PYIYWQWLNZXQHU-UHFFFAOYSA-N
Compound name
1-(1H-imidazol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

124.06366 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 125.0
[M+Na]+ 147.05288 135.7
[M+NH4]+ 142.09748 132.4
[M+K]+ 163.02682 132.6
[M-H]- 123.05638 124.3
[M+Na-2H]- 145.03833 130.1
[M]+ 124.06311 126.0
[M]- 124.06421 126.0
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