CID 6013378

2-cyclononen-1-one

Structural Information

Molecular Formula
C9H14O
SMILES
C1CCCC(=O)/C=C/CC1
InChI
InChI=1S/C9H14O/c10-9-7-5-3-1-2-4-6-8-9/h5,7H,1-4,6,8H2/b7-5+
InChIKey
SMBUFVUYDMRGGD-FNORWQNLSA-N
Compound name
(2E)-cyclonon-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 180.7
[M+Na]+ 161.093678 183.2
[M-H]- 137.097184 181.0
[M+NH4]+ 156.138283 181.3
[M+K]+ 177.067618 181.1
[M+H-H2O]+ 121.101720 172.6
[M+HCOO]- 183.102661 182.2
[M+CH3COO]- 197.118311 183.1
[M+Na-2H]- 159.079126 184.7
[M]+ 138.10391142 181.6
[M]- 138.10500858 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.