CID 16205804

93805-75-5

Structural Information

Molecular Formula
C21H28O2
SMILES
CC1=CCCC(C1/C=C/C(C)OC(=O)CC2=CC=CC=C2)(C)C
InChI
InChI=1S/C21H28O2/c1-16-9-8-14-21(3,4)19(16)13-12-17(2)23-20(22)15-18-10-6-5-7-11-18/h5-7,9-13,17,19H,8,14-15H2,1-4H3/b13-12+
InChIKey
JLOVXOSAZQUCOT-OUKQBFOZSA-N
Compound name
[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.20892 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.21620 178.9
[M+Na]+ 335.19814 191.0
[M+NH4]+ 330.24274 187.9
[M+K]+ 351.17208 181.2
[M-H]- 311.20164 182.6
[M+Na-2H]- 333.18359 186.3
[M]+ 312.20837 181.8
[M]- 312.20947 181.8
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

No patent data available for this compound.