CID 118325

36409-57-1

Structural Information

Molecular Formula
C16H30O7S
SMILES
CCCCCCCCCCCCOS(=O)(=O)C(CC(=O)O)C(=O)O
InChI
InChI=1S/C16H30O7S/c1-2-3-4-5-6-7-8-9-10-11-12-23-24(21,22)14(16(19)20)13-15(17)18/h14H,2-13H2,1H3,(H,17,18)(H,19,20)
InChIKey
IBPFPLUJEYCCSV-UHFFFAOYSA-N
Compound name
2-dodecoxysulfonylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

366.17123 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17851 186.9
[M+Na]+ 389.16045 189.9
[M+NH4]+ 384.20505 199.8
[M+K]+ 405.13439 186.5
[M-H]- 365.16395 180.1
[M+Na-2H]- 387.14590 182.9
[M]+ 366.17068 185.1
[M]- 366.17178 185.1
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