CID 56841972

Einecs 250-413-7

Structural Information

Molecular Formula
C20H24O2
SMILES
CC1(C2CC=C(C1C2)CCOC(=O)/C=C/C3=CC=CC=C3)C
InChI
InChI=1S/C20H24O2/c1-20(2)17-10-9-16(18(20)14-17)12-13-22-19(21)11-8-15-6-4-3-5-7-15/h3-9,11,17-18H,10,12-14H2,1-2H3/b11-8+
InChIKey
STMQAGGBZBGMNQ-DHZHZOJOSA-N
Compound name
2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.17764 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.184916 182.5
[M+Na]+ 319.166858 186.5
[M-H]- 295.170364 184.0
[M+NH4]+ 314.211463 197.4
[M+K]+ 335.140798 185.0
[M+H-H2O]+ 279.174900 171.2
[M+HCOO]- 341.175841 194.9
[M+CH3COO]- 355.191491 210.7
[M+Na-2H]- 317.152306 188.5
[M]+ 296.17709142 195.7
[M]- 296.17818858 195.7
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.