CID 22395729

Thiolan-2-ylmethanol

Structural Information

Molecular Formula
C5H10OS
SMILES
C1CC(SC1)CO
InChI
InChI=1S/C5H10OS/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
InChIKey
CCWMXACNCKOLEO-UHFFFAOYSA-N
Compound name
thiolan-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

118.045235 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.052511 123.3
[M+Na]+ 141.034453 130.3
[M-H]- 117.037959 125.6
[M+NH4]+ 136.079058 147.4
[M+K]+ 157.008393 128.9
[M+H-H2O]+ 101.042495 118.9
[M+HCOO]- 163.043436 140.4
[M+CH3COO]- 177.059086 163.5
[M+Na-2H]- 139.019901 125.3
[M]+ 118.04468642 121.5
[M]- 118.04578358 121.5
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