CID 10920785

9-hydroxynonanal

Structural Information

Molecular Formula
C9H18O2
SMILES
C(CCCCO)CCCC=O
InChI
InChI=1S/C9H18O2/c10-8-6-4-2-1-3-5-7-9-11/h8,11H,1-7,9H2
InChIKey
PDTXJPKCSFUGBM-UHFFFAOYSA-N
Compound name
9-hydroxynonanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

80
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 137.8
[M+Na]+ 181.11990 143.6
[M-H]- 157.12340 136.1
[M+NH4]+ 176.16450 158.2
[M+K]+ 197.09384 142.0
[M+H-H2O]+ 141.12794 132.9
[M+HCOO]- 203.12888 159.8
[M+CH3COO]- 217.14453 176.7
[M+Na-2H]- 179.10535 142.8
[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