CID 58108003

2,2-dimethyl-3-(methylsulfanyl)propan-1-ol

Structural Information

Molecular Formula
C6H14OS
SMILES
CC(C)(CO)CSC
InChI
InChI=1S/C6H14OS/c1-6(2,4-7)5-8-3/h7H,4-5H2,1-3H3
InChIKey
WIKJYNAVZYTPFV-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-methylsulfanylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

134.07654 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08382 130.4
[M+Na]+ 157.06576 139.9
[M+NH4]+ 152.11036 138.9
[M+K]+ 173.03970 133.0
[M-H]- 133.06926 129.6
[M+Na-2H]- 155.05121 133.2
[M]+ 134.07599 131.9
[M]- 134.07709 131.9
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