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

2
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 178.9
[M+Na]+ 307.16686 182.9
[M-H]- 283.17036 180.6
[M+NH4]+ 302.21146 194.2
[M+K]+ 323.14080 182.2
[M+H-H2O]+ 267.17490 167.6
[M+HCOO]- 329.17584 191.4
[M+CH3COO]- 343.19149 209.2
[M+Na-2H]- 305.15231 185.4
[M]+ 284.17709 192.5
[M]- 284.17819 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