CID 93393

1-(2,2-dimethylpropyldisulfanyl)-2,2-dimethylpropane

Structural Information

Molecular Formula
C10H22S2
SMILES
CC(C)(C)CSSCC(C)(C)C
InChI
InChI=1S/C10H22S2/c1-9(2,3)7-11-12-8-10(4,5)6/h7-8H2,1-6H3
InChIKey
SEZZRXXPRCBINH-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylpropyldisulfanyl)-2,2-dimethylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

206.11629 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.123566 147.9
[M+Na]+ 229.105508 154.2
[M-H]- 205.109014 147.9
[M+NH4]+ 224.150113 168.1
[M+K]+ 245.079448 151.2
[M+H-H2O]+ 189.113550 143.0
[M+HCOO]- 251.114491 156.2
[M+CH3COO]- 265.130141 187.6
[M+Na-2H]- 227.090956 148.2
[M]+ 206.11574142 152.1
[M]- 206.11683858 152.1
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.