CID 88213

19721-37-0

Structural Information

Molecular Formula

C₁₀H₁₄O₄S

SMILES

C=CC(=O)OCCSCCOC(=O)C=C

InChI

InChI=1S/C10H14O4S/c1-3-9(11)13-5-7-15-8-6-14-10(12)4-2/h3-4H,1-2,5-8H2

InChIKey

MGBCNPZYUKYBIJ-UHFFFAOYSA-N

Compound name

2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 238
Patents: 230.06128 Da
Monoisotopic Mass: 1.8
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]+	231.06856	154.0
[M+Na]+	253.05050	161.6
[M+NH4]+	248.09510	159.3
[M+K]+	269.02444	155.1
[M-H]-	229.05400	151.1
[M+Na-2H]-	251.03595	154.1
[M]+	230.06073	154.2
[M]-	230.06183	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe