CID 101972034

C10-sas

Structural Information

Molecular Formula

C₁₀H₂₂O₃S

SMILES

CCCCCC(CCCC)S(=O)(=O)O

InChI

InChI=1S/C10H22O3S/c1-3-5-7-9-10(8-6-4-2)14(11,12)13/h10H,3-9H2,1-2H3,(H,11,12,13)

InChIKey

CLHWZDBKYXSFFK-UHFFFAOYSA-N

Compound name

decane-5-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 222.12897 Da
Monoisotopic Mass: 3.3
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	152.0
[M+Na]+	245.11819	157.5
[M-H]-	221.12169	150.4
[M+NH4]+	240.16279	170.2
[M+K]+	261.09213	155.2
[M+H-H2O]+	205.12623	147.0
[M+HCOO]-	267.12717	166.0
[M+CH3COO]-	281.14282	185.8
[M+Na-2H]-	243.10364	152.7
[M]+	222.12842	156.7
[M]-	222.12952	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe