CID 2443031

2-(1h-imidazol-2-yl)-1-phenylethan-1-one hydrochloride

Structural Information

Molecular Formula
C11H10N2O
SMILES
C1=CC=C(C=C1)C(=O)CC2=NC=CN2
InChI
InChI=1S/C11H10N2O/c14-10(8-11-12-6-7-13-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)
InChIKey
DKLIVMUSYMTQSF-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-2-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

55
Patents

186.07932 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 139.4
[M+Na]+ 209.06854 146.8
[M-H]- 185.07204 142.1
[M+NH4]+ 204.11314 157.0
[M+K]+ 225.04248 143.1
[M+H-H2O]+ 169.07658 131.3
[M+HCOO]- 231.07752 160.9
[M+CH3COO]- 245.09317 177.7
[M+Na-2H]- 207.05399 144.8
[M]+ 186.07877 137.4
[M]- 186.07987 137.4
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