CID 20624486

Thiolan-3-ylmethanol

Structural Information

Molecular Formula
C5H10OS
SMILES
C1CSCC1CO
InChI
InChI=1S/C5H10OS/c6-3-5-1-2-7-4-5/h5-6H,1-4H2
InChIKey
IJZYALNIAFIXNC-UHFFFAOYSA-N
Compound name
thiolan-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

118.045235 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05251 123.3
[M+Na]+ 141.03445 130.3
[M-H]- 117.03796 125.6
[M+NH4]+ 136.07906 147.4
[M+K]+ 157.00839 128.9
[M+H-H2O]+ 101.04250 118.9
[M+HCOO]- 163.04344 140.4
[M+CH3COO]- 177.05909 163.5
[M+Na-2H]- 139.01990 125.3
[M]+ 118.04469 121.5
[M]- 118.04578 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