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

76
Patents

118.045235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.052511 121.8
[M+Na]+ 141.034453 129.3
[M-H]- 117.037959 126.2
[M+NH4]+ 136.079058 145.5
[M+K]+ 157.008393 130.0
[M+H-H2O]+ 101.042495 117.4
[M+HCOO]- 163.043436 139.7
[M+CH3COO]- 177.059086 166.0
[M+Na-2H]- 139.019901 125.2
[M]+ 118.04468642 122.4
[M]- 118.04578358 122.4
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