CID 96009607

Dendryphiellic acid b

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

C[C@@H](CCO)/C=C/C=C/C(=O)O

InChI

InChI=1S/C9H14O3/c1-8(6-7-10)4-2-3-5-9(11)12/h2-5,8,10H,6-7H2,1H3,(H,11,12)/b4-2+,5-3+/t8-/m1/s1

InChIKey

KFHQGKGXRZPBOB-YFIBRCQFSA-N

Compound name

(2E,4E,6S)-8-hydroxy-6-methylocta-2,4-dienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.0943 Da
Monoisotopic Mass: 1.2
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]+	171.10158	139.6
[M+Na]+	193.08352	145.3
[M-H]-	169.08702	136.8
[M+NH4]+	188.12812	158.6
[M+K]+	209.05746	143.0
[M+H-H2O]+	153.09156	135.1
[M+HCOO]-	215.09250	158.8
[M+CH3COO]-	229.10815	174.5
[M+Na-2H]-	191.06897	141.5
[M]+	170.09375	139.0
[M]-	170.09485	139.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.