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]+ 271.169276 164.6
[M+Na]+ 293.151218 169.3
[M-H]- 269.154724 170.5
[M+NH4]+ 288.195823 180.7
[M+K]+ 309.125158 165.9
[M+H-H2O]+ 253.159260 157.1
[M+HCOO]- 315.160201 183.6
[M+CH3COO]- 329.175851 200.4
[M+Na-2H]- 291.136666 164.8
[M]+ 270.16145142 163.2
[M]- 270.16254858 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.