CID 4114615

2-cyclononen-1-one

Structural Information

Molecular Formula
C9H14O
SMILES
C1CCCC(=O)C=CCC1
InChI
InChI=1S/C9H14O/c10-9-7-5-3-1-2-4-6-8-9/h5,7H,1-4,6,8H2
InChIKey
SMBUFVUYDMRGGD-UHFFFAOYSA-N
Compound name
cyclonon-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

138.10446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 180.7
[M+Na]+ 161.09368 183.2
[M-H]- 137.09718 181.0
[M+NH4]+ 156.13828 181.3
[M+K]+ 177.06762 181.1
[M+H-H2O]+ 121.10172 172.6
[M+HCOO]- 183.10266 182.2
[M+CH3COO]- 197.11831 183.1
[M+Na-2H]- 159.07913 184.7
[M]+ 138.10391 181.6
[M]- 138.10501 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

patents stripe