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]+ 173.11722 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
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.