CID 569650

2-cyclohexenyl benzoate

Structural Information

Molecular Formula
C13H14O2
SMILES
C1CC=CC(C1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H14O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2
InChIKey
APZIYLKXAJJSIZ-UHFFFAOYSA-N
Compound name
cyclohex-2-en-1-yl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

202.09938 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10666 145.3
[M+Na]+ 225.08860 158.5
[M+NH4]+ 220.13320 154.6
[M+K]+ 241.06254 151.1
[M-H]- 201.09210 149.7
[M+Na-2H]- 223.07405 154.2
[M]+ 202.09883 148.4
[M]- 202.09993 148.4
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