CID 90918

Dicyclohexyl sulfosuccinate

Structural Information

Molecular Formula
C16H26O7S
SMILES
C1CCC(CC1)OC(=O)CC(C(=O)OC2CCCCC2)S(=O)(=O)O
InChI
InChI=1S/C16H26O7S/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13/h12-14H,1-11H2,(H,19,20,21)
InChIKey
QPSVFNQMURAADJ-UHFFFAOYSA-N
Compound name
1,4-dicyclohexyloxy-1,4-dioxobutane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3087
Patents

362.13992 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14720 178.1
[M+Na]+ 385.12914 182.0
[M+NH4]+ 380.17374 182.1
[M+K]+ 401.10308 178.9
[M-H]- 361.13264 176.5
[M+Na-2H]- 383.11459 178.7
[M]+ 362.13937 177.9
[M]- 362.14047 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe