CID 3020345

1-(methylsulphonyl)tetradecan-2-ol

Structural Information

Molecular Formula
C15H32O3S
SMILES
CCCCCCCCCCCCC(CS(=O)(=O)C)O
InChI
InChI=1S/C15H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-15(16)14-19(2,17)18/h15-16H,3-14H2,1-2H3
InChIKey
COQFTFJCVHESIH-UHFFFAOYSA-N
Compound name
1-methylsulfonyltetradecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2072 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.214476 174.0
[M+Na]+ 315.196418 177.4
[M-H]- 291.199924 171.4
[M+NH4]+ 310.241023 189.4
[M+K]+ 331.170358 173.8
[M+H-H2O]+ 275.204460 168.0
[M+HCOO]- 337.205401 186.4
[M+CH3COO]- 351.221051 200.7
[M+Na-2H]- 313.181866 172.3
[M]+ 292.20665142 180.6
[M]- 292.20774858 180.6
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.