CID 21156059

Dtxsid20888089

Structural Information

Molecular Formula
C18H22O2
SMILES
CC1=CCC(CC1OC(=O)CC2=CC=CC=C2)C(=C)C
InChI
InChI=1S/C18H22O2/c1-13(2)16-10-9-14(3)17(12-16)20-18(19)11-15-7-5-4-6-8-15/h4-9,16-17H,1,10-12H2,2-3H3
InChIKey
KDKVSYFQKDKENM-UHFFFAOYSA-N
Compound name
(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.162 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 164.6
[M+Na]+ 293.15122 169.3
[M-H]- 269.15472 170.5
[M+NH4]+ 288.19582 180.7
[M+K]+ 309.12516 165.9
[M+H-H2O]+ 253.15926 157.1
[M+HCOO]- 315.16020 183.6
[M+CH3COO]- 329.17585 200.4
[M+Na-2H]- 291.13667 164.8
[M]+ 270.16145 163.2
[M]- 270.16255 163.2
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.