CID 62128

2-methyltetrahydrofuran-3-thiol

Structural Information

Molecular Formula
C5H10OS
SMILES
CC1C(CCO1)S
InChI
InChI=1S/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3
InChIKey
DBPHPBLAKVZXOY-UHFFFAOYSA-N
Compound name
2-methyloxolane-3-thiol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

594
Patents

118.045235 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.052511 121.1
[M+Na]+ 141.034453 129.5
[M-H]- 117.037959 125.9
[M+NH4]+ 136.079058 145.1
[M+K]+ 157.008393 130.1
[M+H-H2O]+ 101.042495 117.1
[M+HCOO]- 163.043436 139.0
[M+CH3COO]- 177.059086 167.1
[M+Na-2H]- 139.019901 124.0
[M]+ 118.04468642 122.1
[M]- 118.04578358 122.1
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