CID 156288

4-oxononanal

Structural Information

Molecular Formula
C9H16O2
SMILES
CCCCCC(=O)CCC=O
InChI
InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h8H,2-7H2,1H3
InChIKey
MGOKSQNXXRPCMD-UHFFFAOYSA-N
Compound name
4-oxononanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2747
References

619
Patents

156.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 135.8
[M+Na]+ 179.104258 142.2
[M-H]- 155.107764 135.7
[M+NH4]+ 174.148863 156.9
[M+K]+ 195.078198 141.4
[M+H-H2O]+ 139.112300 131.0
[M+HCOO]- 201.113241 158.6
[M+CH3COO]- 215.128891 179.3
[M+Na-2H]- 177.089706 140.2
[M]+ 156.11449142 139.2
[M]- 156.11558858 139.2
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