CID 56994493

7-sulfamoylheptanoic acid

Structural Information

Molecular Formula

C₇H₁₅NO₄S

SMILES

C(CCCS(=O)(=O)N)CCC(=O)O

InChI

InChI=1S/C7H15NO4S/c8-13(11,12)6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)(H2,8,11,12)

InChIKey

QZTOPAGRUAPHBS-UHFFFAOYSA-N

Compound name

7-sulfamoylheptanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 209.07217 Da
Monoisotopic Mass: -1.1
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]+	210.07945	146.4
[M+Na]+	232.06139	152.3
[M+NH4]+	227.10599	151.2
[M+K]+	248.03533	148.0
[M-H]-	208.06489	142.8
[M+Na-2H]-	230.04684	146.2
[M]+	209.07162	146.1
[M]-	209.07272	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe