CID 17900745

2-methylenehexanedioic acid

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

C=C(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C7H10O4/c1-5(7(10)11)3-2-4-6(8)9/h1-4H2,(H,8,9)(H,10,11)

InChIKey

GQXRTXAQSDUAEY-UHFFFAOYSA-N

Compound name

2-methylidenehexanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1697
Patents: 158.0579 Da
Monoisotopic Mass: 0.5
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]+	159.06518	132.6
[M+Na]+	181.04712	138.7
[M-H]-	157.05062	130.1
[M+NH4]+	176.09172	151.7
[M+K]+	197.02106	137.8
[M+H-H2O]+	141.05516	128.2
[M+HCOO]-	203.05610	151.6
[M+CH3COO]-	217.07175	172.8
[M+Na-2H]-	179.03257	134.4
[M]+	158.05735	132.2
[M]-	158.05845	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe