CID 5312792

8-hydroxynonanoic acid

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(CCCCCCC(=O)O)O
InChI
InChI=1S/C9H18O3/c1-8(10)6-4-2-3-5-7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
InChIKey
ZQGUXJLCOPSLHD-UHFFFAOYSA-N
Compound name
8-hydroxynonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

73
Patents

174.1256 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 142.4
[M+Na]+ 197.11482 147.3
[M-H]- 173.11832 139.4
[M+NH4]+ 192.15942 161.2
[M+K]+ 213.08876 146.2
[M+H-H2O]+ 157.12286 137.6
[M+HCOO]- 219.12380 161.1
[M+CH3COO]- 233.13945 177.7
[M+Na-2H]- 195.10027 144.2
[M]+ 174.12505 143.3
[M]- 174.12615 143.3
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

patents stripe