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]+ 147.083816 130.2
[M+Na]+ 169.065758 137.9
[M-H]- 145.069264 132.7
[M+NH4]+ 164.110363 155.5
[M+K]+ 185.039698 136.2
[M+H-H2O]+ 129.073800 126.7
[M+HCOO]- 191.074741 146.6
[M+CH3COO]- 205.090391 170.1
[M+Na-2H]- 167.051206 132.1
[M]+ 146.07599142 129.8
[M]- 146.07708858 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.