CID 6450292

1-decene-1-sulfonic acid, sodium salt

Structural Information

Molecular Formula

C₁₀H₂₀O₃S

SMILES

CCCCCCCC/C=C/S(=O)(=O)O

InChI

InChI=1S/C10H20O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h9-10H,2-8H2,1H3,(H,11,12,13)/b10-9+

InChIKey

SVDCMXMRTJEAHD-MDZDMXLPSA-N

Compound name

(E)-dec-1-ene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 220.11331 Da
Monoisotopic Mass: 3.5
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]+	221.12059	150.9
[M+Na]+	243.10253	157.1
[M-H]-	219.10603	149.4
[M+NH4]+	238.14713	169.3
[M+K]+	259.07647	153.6
[M+H-H2O]+	203.11057	145.9
[M+HCOO]-	265.11151	166.2
[M+CH3COO]-	279.12716	183.4
[M+Na-2H]-	241.08798	152.7
[M]+	220.11276	155.5
[M]-	220.11386	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe