CID 11240503

258823-39-1

Structural Information

Molecular Formula
C6H14OS
SMILES
CCCC(C)(CO)S
InChI
InChI=1S/C6H14OS/c1-3-4-6(2,8)5-7/h7-8H,3-5H2,1-2H3
InChIKey
KMWFJTAZFAREIH-UHFFFAOYSA-N
Compound name
2-methyl-2-sulfanylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

191
Patents

134.07654 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.083816 129.0
[M+Na]+ 157.065758 136.2
[M-H]- 133.069264 128.3
[M+NH4]+ 152.110363 151.0
[M+K]+ 173.039698 134.8
[M+H-H2O]+ 117.073800 125.0
[M+HCOO]- 179.074741 144.5
[M+CH3COO]- 193.090391 170.7
[M+Na-2H]- 155.051206 132.5
[M]+ 134.07599142 131.3
[M]- 134.07708858 131.3
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

patents stripe