CID 161684

Einecs 250-412-1

Structural Information

Molecular Formula
C19H24O2
SMILES
CC1(C2CC=C(C1C2)CCOC(=O)CC3=CC=CC=C3)C
InChI
InChI=1S/C19H24O2/c1-19(2)16-9-8-15(17(19)13-16)10-11-21-18(20)12-14-6-4-3-5-7-14/h3-8,16-17H,9-13H2,1-2H3
InChIKey
FPJNFQPRCFYLDD-UHFFFAOYSA-N
Compound name
2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

284.17764 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.184916 178.9
[M+Na]+ 307.166858 182.9
[M-H]- 283.170364 180.6
[M+NH4]+ 302.211463 194.2
[M+K]+ 323.140798 182.2
[M+H-H2O]+ 267.174900 167.6
[M+HCOO]- 329.175841 191.4
[M+CH3COO]- 343.191491 209.2
[M+Na-2H]- 305.152306 185.4
[M]+ 284.17709142 192.5
[M]- 284.17818858 192.5
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