CID 64099929

2,2-dimethyloxane-4-thiol

Structural Information

Molecular Formula
C7H14OS
SMILES
CC1(CC(CCO1)S)C
InChI
InChI=1S/C7H14OS/c1-7(2)5-6(9)3-4-8-7/h6,9H,3-5H2,1-2H3
InChIKey
VRLVBEQKKZUSPW-UHFFFAOYSA-N
Compound name
2,2-dimethyloxane-4-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

146.07654 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08382 129.7
[M+Na]+ 169.06576 141.1
[M+NH4]+ 164.11036 141.2
[M+K]+ 185.03970 131.5
[M-H]- 145.06926 133.7
[M+Na-2H]- 167.05121 136.0
[M]+ 146.07599 133.2
[M]- 146.07709 133.2
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