CID 13561351

83803-77-4

Structural Information

Molecular Formula
C24H50S3
SMILES
CCCCCCCCCC(C)(C)SSSC(C)(C)CCCCCCCCC
InChI
InChI=1S/C24H50S3/c1-7-9-11-13-15-17-19-21-23(3,4)25-27-26-24(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3
InChIKey
JXEXTWFZDQTOKO-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-methylundecan-2-yltrisulfanyl)undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

434.30746 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.31474 207.2
[M+Na]+ 457.29668 207.0
[M-H]- 433.30018 203.2
[M+NH4]+ 452.34128 217.6
[M+K]+ 473.27062 198.4
[M+H-H2O]+ 417.30472 198.9
[M+HCOO]- 479.30566 205.4
[M+CH3COO]- 493.32131 233.4
[M+Na-2H]- 455.28213 200.9
[M]+ 434.30691 215.2
[M]- 434.30801 215.2
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