CID 79883314

Oxan-3-ylmethanethiol

Structural Information

Molecular Formula
C6H12OS
SMILES
C1CC(COC1)CS
InChI
InChI=1S/C6H12OS/c8-5-6-2-1-3-7-4-6/h6,8H,1-5H2
InChIKey
YWEUJWAXYCHRFO-UHFFFAOYSA-N
Compound name
oxan-3-ylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

132.06088 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06816 125.4
[M+Na]+ 155.05010 136.6
[M+NH4]+ 150.09470 135.6
[M+K]+ 171.02404 128.6
[M-H]- 131.05360 129.5
[M+Na-2H]- 153.03555 130.4
[M]+ 132.06033 128.6
[M]- 132.06143 128.6
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

patents stripe