CID 19957309

2-methylthiolan-3-ol

Structural Information

Molecular Formula
C5H10OS
SMILES
CC1C(CCS1)O
InChI
InChI=1S/C5H10OS/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3
InChIKey
HAUQWGSXLBQNPN-UHFFFAOYSA-N
Compound name
2-methylthiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

118.045235 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.052511 122.6
[M+Na]+ 141.034453 130.5
[M-H]- 117.037959 125.3
[M+NH4]+ 136.079058 147.1
[M+K]+ 157.008393 129.1
[M+H-H2O]+ 101.042495 118.6
[M+HCOO]- 163.043436 139.7
[M+CH3COO]- 177.059086 164.5
[M+Na-2H]- 139.019901 124.0
[M]+ 118.04468642 121.2
[M]- 118.04578358 121.2
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