CID 90782

Benzyl-3-cyclohexen-1-ylidenemethyl ether

Structural Information

Molecular Formula
C14H16O
SMILES
C1CC(=COCC2=CC=CC=C2)CC=C1
InChI
InChI=1S/C14H16O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-5,7-8,12H,6,9-11H2
InChIKey
JEVXQVKXMWAWQE-UHFFFAOYSA-N
Compound name
cyclohex-3-en-1-ylidenemethoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
Patents

200.12012 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.127396 145.1
[M+Na]+ 223.109338 150.0
[M-H]- 199.112844 150.8
[M+NH4]+ 218.153943 163.7
[M+K]+ 239.083278 146.5
[M+H-H2O]+ 183.117380 137.9
[M+HCOO]- 245.118321 167.1
[M+CH3COO]- 259.133971 183.3
[M+Na-2H]- 221.094786 151.2
[M]+ 200.11957142 141.9
[M]- 200.12066858 141.9
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

patents stripe