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
4
Annotation Hits

0
References

80
Patents

284.17764 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18492 170.3
[M+Na]+ 307.16686 182.3
[M+NH4]+ 302.21146 178.1
[M+K]+ 323.14080 174.9
[M-H]- 283.17036 173.6
[M+Na-2H]- 305.15231 177.3
[M]+ 284.17709 173.0
[M]- 284.17819 173.0
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