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 129.0
[M+Na]+ 157.06576 136.2
[M-H]- 133.06926 128.3
[M+NH4]+ 152.11036 151.0
[M+K]+ 173.03970 134.8
[M+H-H2O]+ 117.07380 125.0
[M+HCOO]- 179.07474 144.5
[M+CH3COO]- 193.09039 170.7
[M+Na-2H]- 155.05121 132.5
[M]+ 134.07599 131.3
[M]- 134.07709 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