CID 101775838

(z)-9-hydroxy-6-nonenoic acid

Structural Information

Molecular Formula
C9H16O3
SMILES
C(CCC(=O)O)C/C=C\CCO
InChI
InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h2,4,10H,1,3,5-8H2,(H,11,12)/b4-2-
InChIKey
ZANZRABKHVYZNF-RQOWECAXSA-N
Compound name
(Z)-9-hydroxynon-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 140.6
[M+Na]+ 195.099158 146.1
[M-H]- 171.102664 137.6
[M+NH4]+ 190.143763 159.6
[M+K]+ 211.073098 143.9
[M+H-H2O]+ 155.107200 135.9
[M+HCOO]- 217.108141 160.5
[M+CH3COO]- 231.123791 175.2
[M+Na-2H]- 193.084606 143.8
[M]+ 172.10939142 141.4
[M]- 172.11048858 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.