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
5
Annotation Hits

0
References

83
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 169.5
[M+Na]+ 307.16686 173.7
[M-H]- 283.17036 175.1
[M+NH4]+ 302.21146 185.0
[M+K]+ 323.14080 169.9
[M+H-H2O]+ 267.17490 162.1
[M+HCOO]- 329.17584 187.6
[M+CH3COO]- 343.19149 201.1
[M+Na-2H]- 305.15231 171.8
[M]+ 284.17709 168.1
[M]- 284.17819 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