CID 64541407

Methyl 2-(cyclopropylsulfamoyl)acetate

Structural Information

Molecular Formula

C₆H₁₁NO₄S

SMILES

COC(=O)CS(=O)(=O)NC1CC1

InChI

InChI=1S/C6H11NO4S/c1-11-6(8)4-12(9,10)7-5-2-3-5/h5,7H,2-4H2,1H3

InChIKey

VBAOCRAHNCYUST-UHFFFAOYSA-N

Compound name

methyl 2-(cyclopropylsulfamoyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.04088 Da
Monoisotopic Mass: 0.4
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]+	194.048156	137.2
[M+Na]+	216.030098	145.8
[M-H]-	192.033604	141.8
[M+NH4]+	211.074703	151.8
[M+K]+	232.004038	143.3
[M+H-H2O]+	176.038140	131.3
[M+HCOO]-	238.039081	155.8
[M+CH3COO]-	252.054731	183.5
[M+Na-2H]-	214.015546	141.6
[M]+	193.04033142	143.3
[M]-	193.04142858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.