CID 528092

Methyl n-(p-tolyl)carbamate

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

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

InChI

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

InChIKey

OKBJVCWRESLMMD-UHFFFAOYSA-N

Compound name

methyl N-(4-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 277
Patents: 165.07898 Da
Monoisotopic Mass: 2.3
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]+	166.086256	133.5
[M+Na]+	188.068198	141.1
[M-H]-	164.071704	137.6
[M+NH4]+	183.112803	154.1
[M+K]+	204.042138	140.1
[M+H-H2O]+	148.076240	127.6
[M+HCOO]-	210.077181	158.8
[M+CH3COO]-	224.092831	179.9
[M+Na-2H]-	186.053646	140.1
[M]+	165.07843142	134.4
[M]-	165.07952858	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe