CID 169221

1-dodecene-1-sulfonic acid

Structural Information

Molecular Formula

C₁₂H₂₄O₃S

SMILES

CCCCCCCCCCC=CS(=O)(=O)O

InChI

InChI=1S/C12H24O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h11-12H,2-10H2,1H3,(H,13,14,15)

InChIKey

INEXVHNZGZMSSV-UHFFFAOYSA-N

Compound name

dodec-1-ene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 297
Patents: 248.14462 Da
Monoisotopic Mass: 4.6
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]+	249.15190	161.6
[M+Na]+	271.13384	169.1
[M+NH4]+	266.17844	167.1
[M+K]+	287.10778	161.4
[M-H]-	247.13734	158.6
[M+Na-2H]-	269.11929	161.7
[M]+	248.14407	162.0
[M]-	248.14517	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe