CID 32235

24155-34-8

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

C1=CC=C(C=C1)C(=O)CN2C=CN=C2

InChI

InChI=1S/C11H10N2O/c14-11(8-13-7-6-12-9-13)10-4-2-1-3-5-10/h1-7,9H,8H2

InChIKey

CVJNXVLQSKPUGP-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-1-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 195
Patents: 186.07932 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.08660	138.9
[M+Na]+	209.06854	146.7
[M-H]-	185.07204	142.9
[M+NH4]+	204.11314	157.2
[M+K]+	225.04248	143.9
[M+H-H2O]+	169.07658	130.5
[M+HCOO]-	231.07752	161.9
[M+CH3COO]-	245.09317	180.4
[M+Na-2H]-	207.05399	144.8
[M]+	186.07877	138.8
[M]-	186.07987	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe