CID 11615848

Benzyl n-(2-sulfamoylethyl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄S

SMILES

C1=CC=C(C=C1)COC(=O)NCCS(=O)(=O)N

InChI

InChI=1S/C10H14N2O4S/c11-17(14,15)7-6-12-10(13)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H2,11,14,15)

InChIKey

FPMDBOVKAOIQAH-UHFFFAOYSA-N

Compound name

benzyl N-(2-sulfamoylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 258.0674 Da
Monoisotopic Mass: 0.1
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]+	259.07468	155.0
[M+Na]+	281.05662	160.8
[M-H]-	257.06012	157.8
[M+NH4]+	276.10122	171.0
[M+K]+	297.03056	158.0
[M+H-H2O]+	241.06466	148.0
[M+HCOO]-	303.06560	174.0
[M+CH3COO]-	317.08125	193.0
[M+Na-2H]-	279.04207	159.2
[M]+	258.06685	157.0
[M]-	258.06795	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe