CID 235307

Obtucarbamate a

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₄

SMILES

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

InChI

InChI=1S/C11H14N2O4/c1-7-4-5-8(12-10(14)16-2)6-9(7)13-11(15)17-3/h4-6H,1-3H3,(H,12,14)(H,13,15)

InChIKey

CNPWIVIIZHULCN-UHFFFAOYSA-N

Compound name

methyl N-[3-(methoxycarbonylamino)-4-methylphenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 189
Patents: 238.09535 Da
Monoisotopic Mass: 1.2
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]+	239.10263	152.8
[M+Na]+	261.08457	162.1
[M+NH4]+	256.12917	158.5
[M+K]+	277.05851	158.3
[M-H]-	237.08807	153.7
[M+Na-2H]-	259.07002	157.1
[M]+	238.09480	153.9
[M]-	238.09590	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe