CID 7202

94-69-9

Structural Information

Molecular Formula

SMILES

CC1=CC=CC=C1NC=O

InChI

InChI=1S/C8H9NO/c1-7-4-2-3-5-8(7)9-6-10/h2-6H,1H3,(H,9,10)

InChIKey

ZXTLGJAARBNQGK-UHFFFAOYSA-N

Compound name

N-(2-methylphenyl)formamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 365
Patents: 135.06842 Da
Monoisotopic Mass: 0.9
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]+	136.07570	126.0
[M+Na]+	158.05764	138.9
[M+NH4]+	153.10224	135.1
[M+K]+	174.03158	132.1
[M-H]-	134.06114	129.0
[M+Na-2H]-	156.04309	134.0
[M]+	135.06787	128.6
[M]-	135.06897	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe