CID 10990

Butane, 1,1'-thiobis[3-methyl-

Structural Information

Molecular Formula
C10H22S
SMILES
CC(C)CCSCCC(C)C
InChI
InChI=1S/C10H22S/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKey
JWEWNTJADCWFRP-UHFFFAOYSA-N
Compound name
3-methyl-1-(3-methylbutylsulfanyl)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

432
Patents

174.14423 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.15151 142.7
[M+Na]+ 197.13345 147.8
[M-H]- 173.13695 142.7
[M+NH4]+ 192.17805 163.8
[M+K]+ 213.10739 146.5
[M+H-H2O]+ 157.14149 137.5
[M+HCOO]- 219.14243 157.6
[M+CH3COO]- 233.15808 185.0
[M+Na-2H]- 195.11890 141.8
[M]+ 174.14368 146.3
[M]- 174.14478 146.3
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.