CID 611819

10252-68-3

Structural Information

Molecular Formula

C₁₁H₁₅NO₄S

SMILES

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H15NO4S/c1-8(2)7-12-17(15,16)10-5-3-9(4-6-10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)

InChIKey

VKGRSBHIZXZUIB-UHFFFAOYSA-N

Compound name

4-(2-methylpropylsulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 257.07217 Da
Monoisotopic Mass: 1.7
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]+	258.07945	156.3
[M+Na]+	280.06139	164.8
[M+NH4]+	275.10599	161.9
[M+K]+	296.03533	159.9
[M-H]-	256.06489	155.6
[M+Na-2H]-	278.04684	159.7
[M]+	257.07162	157.4
[M]-	257.07272	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe