CID 5312793

9-hydroxy-5z-nonenoic acid

Structural Information

Molecular Formula

C₉H₁₆O₃

SMILES

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

InChI

InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h1-2,10H,3-8H2,(H,11,12)/b2-1-

InChIKey

WPQRIXDVEGLWLV-UPHRSURJSA-N

Compound name

(Z)-9-hydroxynon-5-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.10994 Da
Monoisotopic Mass: 1.0
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]+	173.11722	140.6
[M+Na]+	195.09916	146.1
[M-H]-	171.10266	137.6
[M+NH4]+	190.14376	159.6
[M+K]+	211.07310	143.9
[M+H-H2O]+	155.10720	135.9
[M+HCOO]-	217.10814	160.5
[M+CH3COO]-	231.12379	175.2
[M+Na-2H]-	193.08461	143.8
[M]+	172.10939	141.4
[M]-	172.11049	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe