CID 20838599

Terpinyl cinnamate

Structural Information

Molecular Formula
C19H24O2
SMILES
CC1=CC[C@H](CC1)C(C)(C)OC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H24O2/c1-15-9-12-17(13-10-15)19(2,3)21-18(20)14-11-16-7-5-4-6-8-16/h4-9,11,14,17H,10,12-13H2,1-3H3/b14-11+/t17-/m1/s1
InChIKey
CKYQZYGVFMSSKH-GWKQRERASA-N
Compound name
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

113
Patents

284.17764 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.184916 169.5
[M+Na]+ 307.166858 173.7
[M-H]- 283.170364 175.1
[M+NH4]+ 302.211463 185.0
[M+K]+ 323.140798 169.9
[M+H-H2O]+ 267.174900 162.1
[M+HCOO]- 329.175841 187.6
[M+CH3COO]- 343.191491 201.1
[M+Na-2H]- 305.152306 171.8
[M]+ 284.17709142 168.1
[M]- 284.17818858 168.1
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