CID 49957

Decane-1-sulfonic acid

Structural Information

Molecular Formula

C₁₀H₂₂O₃S

SMILES

CCCCCCCCCCS(=O)(=O)O

InChI

InChI=1S/C10H22O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H,11,12,13)

InChIKey

KVGOXGQSTGQXDD-UHFFFAOYSA-N

Compound name

decane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 29
References: 8855
Patents: 222.12897 Da
Monoisotopic Mass: 3.6
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]+	223.13625	153.4
[M+Na]+	245.11819	161.2
[M+NH4]+	240.16279	159.5
[M+K]+	261.09213	154.2
[M-H]-	221.12169	150.8
[M+Na-2H]-	243.10364	154.1
[M]+	222.12842	153.9
[M]-	222.12952	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe