CID 14048405

4-hydroxynonanal

Structural Information

Molecular Formula
C9H18O2
SMILES
CCCCCC(CCC=O)O
InChI
InChI=1S/C9H18O2/c1-2-3-4-6-9(11)7-5-8-10/h8-9,11H,2-7H2,1H3
InChIKey
JKDRLGCUTJVKCE-UHFFFAOYSA-N
Compound name
4-hydroxynonanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

154
Patents

158.13068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 138.4
[M+Na]+ 181.11990 144.0
[M-H]- 157.12340 136.8
[M+NH4]+ 176.16450 158.7
[M+K]+ 197.09384 142.9
[M+H-H2O]+ 141.12794 133.6
[M+HCOO]- 203.12888 159.4
[M+CH3COO]- 217.14453 177.4
[M+Na-2H]- 179.10535 142.1
[M]+ 158.13013 140.5
[M]- 158.13123 140.5
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