CID 3656473

Isobornyl phenylacetate

Structural Information

Molecular Formula
C18H24O2
SMILES
CC1(C2CCC1(C(C2)OC(=O)CC3=CC=CC=C3)C)C
InChI
InChI=1S/C18H24O2/c1-17(2)14-9-10-18(17,3)15(12-14)20-16(19)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3
InChIKey
OVTUPLGIFCUERT-UHFFFAOYSA-N
Compound name
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

272.17764 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18492 167.9
[M+Na]+ 295.16686 175.2
[M-H]- 271.17036 174.1
[M+NH4]+ 290.21146 193.4
[M+K]+ 311.14080 171.3
[M+H-H2O]+ 255.17490 163.0
[M+HCOO]- 317.17584 187.3
[M+CH3COO]- 331.19149 198.7
[M+Na-2H]- 293.15231 169.2
[M]+ 272.17709 169.2
[M]- 272.17819 169.2
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

patents stripe