CID 13406

1-cyclohexylidenepropan-2-one

Structural Information

Molecular Formula
C9H14O
SMILES
CC(=O)C=C1CCCCC1
InChI
InChI=1S/C9H14O/c1-8(10)7-9-5-3-2-4-6-9/h7H,2-6H2,1H3
InChIKey
KVSOBMXTKPYCSG-UHFFFAOYSA-N
Compound name
1-cyclohexylidenepropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

138.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 130.5
[M+Na]+ 161.093678 135.2
[M-H]- 137.097184 133.2
[M+NH4]+ 156.138283 151.9
[M+K]+ 177.067618 133.9
[M+H-H2O]+ 121.101720 125.3
[M+HCOO]- 183.102661 150.4
[M+CH3COO]- 197.118311 172.9
[M+Na-2H]- 159.079126 134.6
[M]+ 138.10391142 125.4
[M]- 138.10500858 125.4
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