CID 115463001

Methyl 2-[2-(sulfamoylmethyl)phenyl]acetate

Structural Information

Molecular Formula

C₁₀H₁₃NO₄S

SMILES

COC(=O)CC1=CC=CC=C1CS(=O)(=O)N

InChI

InChI=1S/C10H13NO4S/c1-15-10(12)6-8-4-2-3-5-9(8)7-16(11,13)14/h2-5H,6-7H2,1H3,(H2,11,13,14)

InChIKey

CLFYZGPKMHMTJL-UHFFFAOYSA-N

Compound name

methyl 2-[2-(sulfamoylmethyl)phenyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.05653 Da
Monoisotopic Mass: 0.2
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]+	244.063806	151.2
[M+Na]+	266.045748	158.7
[M-H]-	242.049254	154.5
[M+NH4]+	261.090353	168.5
[M+K]+	282.019688	156.1
[M+H-H2O]+	226.053790	145.0
[M+HCOO]-	288.054731	169.2
[M+CH3COO]-	302.070381	189.8
[M+Na-2H]-	264.031196	154.1
[M]+	243.05598142	154.5
[M]-	243.05707858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.