CID 51711452

Methyl 3-(cyclopropylsulfamoyl)propanoate

Structural Information

Molecular Formula

C₇H₁₃NO₄S

SMILES

COC(=O)CCS(=O)(=O)NC1CC1

InChI

InChI=1S/C7H13NO4S/c1-12-7(9)4-5-13(10,11)8-6-2-3-6/h6,8H,2-5H2,1H3

InChIKey

XOSLEVVJKVBDGT-UHFFFAOYSA-N

Compound name

methyl 3-(cyclopropylsulfamoyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.05653 Da
Monoisotopic Mass: -0.3
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]+	208.063806	141.3
[M+Na]+	230.045748	149.4
[M-H]-	206.049254	145.7
[M+NH4]+	225.090353	155.4
[M+K]+	246.019688	146.8
[M+H-H2O]+	190.053790	135.2
[M+HCOO]-	252.054731	159.6
[M+CH3COO]-	266.070381	186.4
[M+Na-2H]-	228.031196	145.2
[M]+	207.05598142	147.7
[M]-	207.05707858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.