CID 192806

5069-94-3

Structural Information

Molecular Formula
C5H10OS
SMILES
C1CC(OC1)CS
InChI
InChI=1S/C5H10OS/c7-4-5-2-1-3-6-5/h5,7H,1-4H2
InChIKey
HZEQZXCNBJSQCS-UHFFFAOYSA-N
Compound name
oxolan-2-ylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

118.045235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05251 122.5
[M+Na]+ 141.03445 132.8
[M+NH4]+ 136.07906 132.6
[M+K]+ 157.00839 127.0
[M-H]- 117.03796 125.8
[M+Na-2H]- 139.01990 126.6
[M]+ 118.04469 125.3
[M]- 118.04578 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe