CID 19695614

2-hydroxypropyl sulfanylacetate

Structural Information

Molecular Formula

C₅H₁₀O₃S

SMILES

CC(COC(=O)CS)O

InChI

InChI=1S/C5H10O3S/c1-4(6)2-8-5(7)3-9/h4,6,9H,2-3H2,1H3

InChIKey

IIYWIGIXLOAJPO-UHFFFAOYSA-N

Compound name

2-hydroxypropyl 2-sulfanylacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 335
Patents: 150.03506 Da
Monoisotopic Mass: 0.2
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]+	151.042336	130.1
[M+Na]+	173.024278	136.9
[M-H]-	149.027784	129.3
[M+NH4]+	168.068883	151.0
[M+K]+	188.998218	136.5
[M+H-H2O]+	133.032320	125.4
[M+HCOO]-	195.033261	146.0
[M+CH3COO]-	209.048911	171.4
[M+Na-2H]-	171.009726	131.3
[M]+	150.03451142	133.4
[M]-	150.03560858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe