CID 75748

Allylmalonic acid

Structural Information

Molecular Formula

C₆H₈O₄

SMILES

C=CCC(C(=O)O)C(=O)O

InChI

InChI=1S/C6H8O4/c1-2-3-4(5(7)8)6(9)10/h2,4H,1,3H2,(H,7,8)(H,9,10)

InChIKey

ZDZVKPXKLLLOOA-UHFFFAOYSA-N

Compound name

2-prop-2-enylpropanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 5717
Patents: 144.04225 Da
Monoisotopic Mass: 0.6
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]+	145.04953	129.6
[M+Na]+	167.03147	137.2
[M+NH4]+	162.07607	134.7
[M+K]+	183.00541	135.2
[M-H]-	143.03497	125.6
[M+Na-2H]-	165.01692	130.1
[M]+	144.04170	128.9
[M]-	144.04280	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe