CID 175956

2-(acryloyloxy)ethyl hydrogen succinate

Structural Information

Molecular Formula

C₉H₁₂O₆

SMILES

C=CC(=O)OCCOC(=O)CCC(=O)O

InChI

InChI=1S/C9H12O6/c1-2-8(12)14-5-6-15-9(13)4-3-7(10)11/h2H,1,3-6H2,(H,10,11)

InChIKey

UZDMJPAQQFSMMV-UHFFFAOYSA-N

Compound name

4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 9319
Patents: 216.06339 Da
Monoisotopic Mass: 0.0
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]+	217.070666	144.4
[M+Na]+	239.052608	150.4
[M-H]-	215.056114	143.0
[M+NH4]+	234.097213	161.9
[M+K]+	255.026548	150.4
[M+H-H2O]+	199.060650	139.2
[M+HCOO]-	261.061591	165.0
[M+CH3COO]-	275.077241	183.4
[M+Na-2H]-	237.038056	146.0
[M]+	216.06284142	148.8
[M]-	216.06393858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe