CID 2110815

746607-56-7

Structural Information

Molecular Formula

C₁₂H₁₅NO₄S

SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H15NO4S/c14-12(15)10-6-2-3-7-11(10)18(16,17)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15)

InChIKey

XINZZICRQFQURD-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylsulfonylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 269.07217 Da
Monoisotopic Mass: 1.4
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]+	270.07945	157.7
[M+Na]+	292.06139	163.2
[M-H]-	268.06489	161.1
[M+NH4]+	287.10599	171.9
[M+K]+	308.03533	159.9
[M+H-H2O]+	252.06943	150.7
[M+HCOO]-	314.07037	169.4
[M+CH3COO]-	328.08602	189.2
[M+Na-2H]-	290.04684	160.0
[M]+	269.07162	155.7
[M]-	269.07272	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe