CID 5273468

Octyl cinnamate

Structural Information

Molecular Formula
C17H24O2
SMILES
CCCCCCCCOC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C17H24O2/c1-2-3-4-5-6-10-15-19-17(18)14-13-16-11-8-7-9-12-16/h7-9,11-14H,2-6,10,15H2,1H3/b14-13+
InChIKey
VIKVSUVYUVJHOA-BUHFOSPRSA-N
Compound name
octyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

942
Patents

260.17764 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 165.6
[M+Na]+ 283.16686 176.9
[M+NH4]+ 278.21146 172.8
[M+K]+ 299.14080 168.5
[M-H]- 259.17036 167.1
[M+Na-2H]- 281.15231 170.8
[M]+ 260.17709 167.5
[M]- 260.17819 167.5
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