CID 6375438

Hildebrandt acid

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

C/C(=C\C(=O)O)/CC/C=C(\C)/C(=O)O

InChI

InChI=1S/C10H14O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/b7-6+,8-5+

InChIKey

IUBQEOXMIZDLSO-ZCOYIIAOSA-N

Compound name

(2E,6E)-2,6-dimethylocta-2,6-dienedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 198.0892 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]+	199.09648	145.1
[M+Na]+	221.07842	150.2
[M-H]-	197.08192	142.2
[M+NH4]+	216.12302	162.7
[M+K]+	237.05236	148.5
[M+H-H2O]+	181.08646	140.5
[M+HCOO]-	243.08740	162.4
[M+CH3COO]-	257.10305	180.6
[M+Na-2H]-	219.06387	144.1
[M]+	198.08865	144.3
[M]-	198.08975	144.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.