CID 12760971

(2,2-dimethylthiolan-3-yl)methanol

Structural Information

Molecular Formula
C7H14OS
SMILES
CC1(C(CCS1)CO)C
InChI
InChI=1S/C7H14OS/c1-7(2)6(5-8)3-4-9-7/h6,8H,3-5H2,1-2H3
InChIKey
GFDWLEXEMUNQLX-UHFFFAOYSA-N
Compound name
(2,2-dimethylthiolan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.07654 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08382 131.4
[M+Na]+ 169.06576 140.7
[M+NH4]+ 164.11036 142.3
[M+K]+ 185.03970 133.0
[M-H]- 145.06926 132.7
[M+Na-2H]- 167.05121 136.3
[M]+ 146.07599 133.6
[M]- 146.07709 133.6
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.