CID 12760971

83413-95-0

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 130.2
[M+Na]+ 169.06576 137.9
[M-H]- 145.06926 132.7
[M+NH4]+ 164.11036 155.5
[M+K]+ 185.03970 136.2
[M+H-H2O]+ 129.07380 126.7
[M+HCOO]- 191.07474 146.6
[M+CH3COO]- 205.09039 170.1
[M+Na-2H]- 167.05121 132.1
[M]+ 146.07599 129.8
[M]- 146.07709 129.8
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.