CID 11001756

Butanoic acid, 4-(dodecylsulfonyl)-

Structural Information

Molecular Formula
C16H32O4S
SMILES
CCCCCCCCCCCCS(=O)(=O)CCCC(=O)O
InChI
InChI=1S/C16H32O4S/c1-2-3-4-5-6-7-8-9-10-11-14-21(19,20)15-12-13-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKey
JBXDGVSAYRWVET-UHFFFAOYSA-N
Compound name
4-dodecylsulfonylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

320.20212 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20940 180.8
[M+Na]+ 343.19134 186.6
[M+NH4]+ 338.23594 184.9
[M+K]+ 359.16528 179.5
[M-H]- 319.19484 176.9
[M+Na-2H]- 341.17679 179.3
[M]+ 320.20157 180.5
[M]- 320.20267 180.5
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

patents stripe