CID 79883314

1533680-95-3

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

2
Patents

132.06088 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.068156 124.8
[M+Na]+ 155.050098 130.6
[M-H]- 131.053604 128.7
[M+NH4]+ 150.094703 145.9
[M+K]+ 171.024038 130.9
[M+H-H2O]+ 115.058140 119.7
[M+HCOO]- 177.059081 140.2
[M+CH3COO]- 191.074731 169.2
[M+Na-2H]- 153.035546 129.2
[M]+ 132.06033142 123.5
[M]- 132.06142858 123.5
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