CID 138052

9-hydroxynonanoic acid

Structural Information

Molecular Formula
C9H18O3
SMILES
C(CCCCO)CCCC(=O)O
InChI
InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)
InChIKey
AFZMICRBFKZNIH-UHFFFAOYSA-N
Compound name
9-hydroxynonanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1298
Patents

174.1256 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 142.0
[M+Na]+ 197.11482 147.1
[M-H]- 173.11832 138.8
[M+NH4]+ 192.15942 160.8
[M+K]+ 213.08876 145.5
[M+H-H2O]+ 157.12286 137.1
[M+HCOO]- 219.12380 161.6
[M+CH3COO]- 233.13945 176.8
[M+Na-2H]- 195.10027 145.1
[M]+ 174.12505 143.5
[M]- 174.12615 143.5
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