CID 88085596

C20-sas

Structural Information

Molecular Formula
C20H42O3S
SMILES
CCCCCCCCCCC(CCCCCCCCC)S(=O)(=O)O
InChI
InChI=1S/C20H42O3S/c1-3-5-7-9-11-13-15-17-19-20(24(21,22)23)18-16-14-12-10-8-6-4-2/h20H,3-19H2,1-2H3,(H,21,22,23)
InChIKey
SDWPANLVMNASEQ-UHFFFAOYSA-N
Compound name
icosane-10-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.28546 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.29274 195.5
[M+Na]+ 385.27468 196.7
[M-H]- 361.27818 192.0
[M+NH4]+ 380.31928 208.0
[M+K]+ 401.24862 191.9
[M+H-H2O]+ 345.28272 188.6
[M+HCOO]- 407.28366 206.3
[M+CH3COO]- 421.29931 215.5
[M+Na-2H]- 383.26013 191.5
[M]+ 362.28491 204.0
[M]- 362.28601 204.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.