CID 596693

39076-18-1

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC1=CC(=CC=C1)NC(=O)OC

InChI

InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)10-9(11)12-2/h3-6H,1-2H3,(H,10,11)

InChIKey

YYKXNDIQHDVJKF-UHFFFAOYSA-N

Compound name

methyl N-(3-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 165.07898 Da
Monoisotopic Mass: 2.2
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]+	166.08626	134.3
[M+Na]+	188.06820	146.2
[M+NH4]+	183.11280	142.5
[M+K]+	204.04214	140.4
[M-H]-	164.07170	136.5
[M+Na-2H]-	186.05365	141.1
[M]+	165.07843	136.4
[M]-	165.07953	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe