CID 24180702

Xhrinnqolroejn-uhfffaoysa-n

Structural Information

Molecular Formula
C24H50S5
SMILES
CC(C(C)(C)C)C(C)(C)C(C)(C)SSSSSC(C)(C)C(C)(C)C(C)C(C)(C)C
InChI
InChI=1S/C24H50S5/c1-17(19(3,4)5)21(9,10)23(13,14)25-27-29-28-26-24(15,16)22(11,12)18(2)20(6,7)8/h17-18H,1-16H3
InChIKey
XHRINNQOLROEJN-UHFFFAOYSA-N
Compound name
2-(2,3,3,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,5,5-hexamethylhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.25162 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.258896 213.9
[M+Na]+ 521.240838 211.6
[M-H]- 497.244344 207.0
[M+NH4]+ 516.285443 219.4
[M+K]+ 537.214778 202.0
[M+H-H2O]+ 481.248880 204.5
[M+HCOO]- 543.249821 195.3
[M+CH3COO]- 557.265471 242.6
[M+Na-2H]- 519.226286 213.7
[M]+ 498.25107142 211.4
[M]- 498.25216858 211.4
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

No patent data available for this compound.