CID 5282897

2-hydroxynonanoic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1927
Patents

174.1256 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 142.4
[M+Na]+ 197.114818 147.3
[M-H]- 173.118324 139.4
[M+NH4]+ 192.159423 161.2
[M+K]+ 213.088758 146.2
[M+H-H2O]+ 157.122860 137.6
[M+HCOO]- 219.123801 161.1
[M+CH3COO]- 233.139451 177.7
[M+Na-2H]- 195.100266 144.2
[M]+ 174.12505142 143.3
[M]- 174.12614858 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