CID 86289764

11-hydroxy-2-undecenoic acid

Structural Information

Molecular Formula

C₁₁H₂₀O₃

SMILES

C(CCCCO)CCC/C=C/C(=O)O

InChI

InChI=1S/C11H20O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h7,9,12H,1-6,8,10H2,(H,13,14)/b9-7+

InChIKey

UHMWYQAZYGDJGM-VQHVLOKHSA-N

Compound name

(E)-11-hydroxyundec-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.14125 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]+	201.14853	149.7
[M+Na]+	223.13047	154.4
[M-H]-	199.13397	146.3
[M+NH4]+	218.17507	167.5
[M+K]+	239.10441	151.7
[M+H-H2O]+	183.13851	144.6
[M+HCOO]-	245.13945	169.0
[M+CH3COO]-	259.15510	181.3
[M+Na-2H]-	221.11592	151.8
[M]+	200.14070	151.3
[M]-	200.14180	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe