CID 6455792

Einecs 269-100-1

Structural Information

Molecular Formula

C₄H₁₀O₃S

SMILES

CC(C)CS(=O)(=O)O

InChI

InChI=1S/C4H10O3S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)

InChIKey

FKOZPUORKCHONH-UHFFFAOYSA-N

Compound name

2-methylpropane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 5467
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	128.0
[M+Na]+	161.02428	136.7
[M+NH4]+	156.06888	135.0
[M+K]+	176.99822	131.9
[M-H]-	137.02778	125.5
[M+Na-2H]-	159.00973	129.8
[M]+	138.03451	128.7
[M]-	138.03561	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe