CID 161684

30982-35-5

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

1
Patents

284.17764 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18492 164.2
[M+Na]+ 307.16686 172.0
[M+NH4]+ 302.21146 171.8
[M+K]+ 323.14080 163.7
[M-H]- 283.17036 162.6
[M+Na-2H]- 305.15231 164.6
[M]+ 284.17709 164.0
[M]- 284.17819 164.0
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