CID 12454423

10-hydroxy-3,7-dimethyl-2e,6e-decadienoic acid

Structural Information

Molecular Formula

C₁₂H₂₀O₃

SMILES

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

InChI

InChI=1S/C12H20O3/c1-10(7-4-8-13)5-3-6-11(2)9-12(14)15/h5,9,13H,3-4,6-8H2,1-2H3,(H,14,15)/b10-5+,11-9+

InChIKey

LNRHHLFPGMFPLP-WTIVLTGYSA-N

Compound name

(2E,6E)-10-hydroxy-3,7-dimethyldeca-2,6-dienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.14125 Da
Monoisotopic Mass: 2.7
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]+	213.148526	153.5
[M+Na]+	235.130468	157.8
[M-H]-	211.133974	150.2
[M+NH4]+	230.175073	170.8
[M+K]+	251.104408	155.1
[M+H-H2O]+	195.138510	148.6
[M+HCOO]-	257.139451	170.7
[M+CH3COO]-	271.155101	184.5
[M+Na-2H]-	233.115916	152.6
[M]+	212.14070142	153.4
[M]-	212.14179858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe