CID 20624484

(oxolan-3-yl)methanethiol

Structural Information

Molecular Formula

SMILES

C1COCC1CS

InChI

InChI=1S/C5H10OS/c7-4-5-1-2-6-3-5/h5,7H,1-4H2

InChIKey

JRKNQYISGWCMNB-UHFFFAOYSA-N

Compound name

oxolan-3-ylmethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 118.045235 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe