CID 14958423

Schembl301851

Structural Information

Molecular Formula

C₅H₆O₄

SMILES

C=CC(=O)OCC(=O)O

InChI

InChI=1S/C5H6O4/c1-2-5(8)9-3-4(6)7/h2H,1,3H2,(H,6,7)

InChIKey

JYSWMLAADBQAQX-UHFFFAOYSA-N

Compound name

2-prop-2-enoyloxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1835
Patents: 130.02661 Da
Monoisotopic Mass: 0.3
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]+	131.033886	122.4
[M+Na]+	153.015828	130.1
[M-H]-	129.019334	121.6
[M+NH4]+	148.060433	143.6
[M+K]+	168.989768	130.2
[M+H-H2O]+	113.023870	118.2
[M+HCOO]-	175.024811	144.6
[M+CH3COO]-	189.040461	167.7
[M+Na-2H]-	151.001276	127.1
[M]+	130.02606142	123.7
[M]-	130.02715858	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe