CID 49935

1-butanesulfonic acid

Structural Information

Molecular Formula

C₄H₁₀O₃S

SMILES

CCCCS(=O)(=O)O

InChI

InChI=1S/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)

InChIKey

QDHFHIQKOVNCNC-UHFFFAOYSA-N

Compound name

butane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 15
References: 42045
Patents: 138.03506 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]+	139.04234	125.2
[M+Na]+	161.02428	133.6
[M-H]-	137.02778	124.8
[M+NH4]+	156.06888	146.9
[M+K]+	176.99822	132.3
[M+H-H2O]+	121.03232	121.3
[M+HCOO]-	183.03326	142.2
[M+CH3COO]-	197.04891	166.9
[M+Na-2H]-	159.00973	129.9
[M]+	138.03451	128.3
[M]-	138.03561	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe