CID 831239

Nsc629632

Structural Information

Molecular Formula
C14H16O2
SMILES
COC1=CC=C(C=C1)/C=C\2/CCCCC2=O
InChI
InChI=1S/C14H16O2/c1-16-13-8-6-11(7-9-13)10-12-4-2-3-5-14(12)15/h6-10H,2-5H2,1H3/b12-10-
InChIKey
JURVLOCWPWGFIG-BENRWUELSA-N
Compound name
(2Z)-2-[(4-methoxyphenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

216.11504 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 147.9
[M+Na]+ 239.10426 153.9
[M-H]- 215.10776 154.0
[M+NH4]+ 234.14886 166.3
[M+K]+ 255.07820 150.6
[M+H-H2O]+ 199.11230 141.0
[M+HCOO]- 261.11324 168.9
[M+CH3COO]- 275.12889 187.0
[M+Na-2H]- 237.08971 151.6
[M]+ 216.11449 144.9
[M]- 216.11559 144.9
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.