CID 88186

Dodecanethioic acid, anhydrosulfide

Structural Information

Molecular Formula
C24H46O2S
SMILES
CCCCCCCCCCCC(=O)SC(=O)CCCCCCCCCCC
InChI
InChI=1S/C24H46O2S/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
UBUWMRSBMYUJAP-UHFFFAOYSA-N
Compound name
S-dodecanoyl dodecanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

398.32184 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.32912 208.9
[M+Na]+ 421.31106 208.6
[M-H]- 397.31456 206.0
[M+NH4]+ 416.35566 220.7
[M+K]+ 437.28500 203.3
[M+H-H2O]+ 381.31910 200.8
[M+HCOO]- 443.32004 220.2
[M+CH3COO]- 457.33569 226.9
[M+Na-2H]- 419.29651 201.3
[M]+ 398.32129 219.0
[M]- 398.32239 219.0
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

patents stripe