CID 116165

64011-52-5

Structural Information

Molecular Formula
C14H20O2
SMILES
C1CC=CC(C1)COC(=O)C2CCC=CC2
InChI
InChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h2-3,5,7,12-13H,1,4,6,8-11H2
InChIKey
BDSXYOGJNBDOJO-UHFFFAOYSA-N
Compound name
cyclohex-2-en-1-ylmethyl cyclohex-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 153.1
[M+Na]+ 243.13555 164.1
[M+NH4]+ 238.18015 162.0
[M+K]+ 259.10949 156.9
[M-H]- 219.13905 157.0
[M+Na-2H]- 241.12100 159.8
[M]+ 220.14578 155.6
[M]- 220.14688 155.6
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.