CID 11083958

Nona-1,8-dien-5-one

Structural Information

Molecular Formula
C9H14O
SMILES
C=CCCC(=O)CCC=C
InChI
InChI=1S/C9H14O/c1-3-5-7-9(10)8-6-4-2/h3-4H,1-2,5-8H2
InChIKey
YMNUETQQDKREEP-UHFFFAOYSA-N
Compound name
nona-1,8-dien-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

138.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 130.9
[M+Na]+ 161.09368 137.6
[M-H]- 137.09718 130.9
[M+NH4]+ 156.13828 152.7
[M+K]+ 177.06762 135.8
[M+H-H2O]+ 121.10172 126.4
[M+HCOO]- 183.10266 153.6
[M+CH3COO]- 197.11831 176.4
[M+Na-2H]- 159.07913 135.4
[M]+ 138.10391 132.1
[M]- 138.10501 132.1
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