CID 5357153

Cyclohexyl cinnamate

Structural Information

Molecular Formula
C15H18O2
SMILES
C1CCC(CC1)OC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C15H18O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11+
InChIKey
GCFAUZGWPDYAJN-VAWYXSNFSA-N
Compound name
cyclohexyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

8149
Patents

230.13068 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 154.0
[M+Na]+ 253.11990 157.4
[M-H]- 229.12340 159.2
[M+NH4]+ 248.16450 171.1
[M+K]+ 269.09384 154.3
[M+H-H2O]+ 213.12794 146.5
[M+HCOO]- 275.12888 173.6
[M+CH3COO]- 289.14453 188.0
[M+Na-2H]- 251.10535 157.2
[M]+ 230.13013 149.7
[M]- 230.13123 149.7
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