CID 79683

Ethyl tosylcarbamate

Structural Information

Molecular Formula

C₁₀H₁₃NO₄S

SMILES

CCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C10H13NO4S/c1-3-15-10(12)11-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)

InChIKey

DFWQXANLGSXMKF-UHFFFAOYSA-N

Compound name

ethyl N-(4-methylphenyl)sulfonylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 118
Patents: 243.05653 Da
Monoisotopic Mass: 1.9
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]+	244.06381	152.6
[M+Na]+	266.04575	162.3
[M+NH4]+	261.09035	158.9
[M+K]+	282.01969	156.4
[M-H]-	242.04925	152.7
[M+Na-2H]-	264.03120	157.1
[M]+	243.05598	154.2
[M]-	243.05708	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe