CID 72875

Dodecyl sulfide

Structural Information

Molecular Formula
C24H50S
SMILES
CCCCCCCCCCCCSCCCCCCCCCCCC
InChI
InChI=1S/C24H50S/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
UPYPTOCXMIWHSG-UHFFFAOYSA-N
Compound name
1-dodecylsulfanyldodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3520
Patents

370.3633 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.37058 202.0
[M+Na]+ 393.35252 201.7
[M-H]- 369.35602 198.9
[M+NH4]+ 388.39712 215.2
[M+K]+ 409.32646 195.8
[M+H-H2O]+ 353.36056 193.9
[M+HCOO]- 415.36150 214.5
[M+CH3COO]- 429.37715 224.9
[M+Na-2H]- 391.33797 196.5
[M]+ 370.36275 212.1
[M]- 370.36385 212.1
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