CID 27133

N-cyclopropylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1CC1NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C10H11NO/c12-10(11-9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)

InChIKey

IASIJDXUZOLTAH-UHFFFAOYSA-N

Compound name

N-cyclopropylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 469
Patents: 161.08406 Da
Monoisotopic Mass: 1.8
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]+	162.09134	135.9
[M+Na]+	184.07328	149.2
[M+NH4]+	179.11788	145.5
[M+K]+	200.04722	144.1
[M-H]-	160.07678	146.7
[M+Na-2H]-	182.05873	146.6
[M]+	161.08351	141.8
[M]-	161.08461	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe