CID 73557527

Santalyl phenylacetate

Structural Information

Molecular Formula
C23H30O2
SMILES
CC(=CCCC1(C2CCC(C2)C1=C)C)COC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C23H30O2/c1-17(16-25-22(24)14-19-9-5-4-6-10-19)8-7-13-23(3)18(2)20-11-12-21(23)15-20/h4-6,8-10,20-21H,2,7,11-16H2,1,3H3
InChIKey
FIZFZQIBGCHOJY-UHFFFAOYSA-N
Compound name
[2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

79
Patents

338.22458 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.23186 190.4
[M+Na]+ 361.21380 194.7
[M-H]- 337.21730 195.3
[M+NH4]+ 356.25840 210.9
[M+K]+ 377.18774 189.0
[M+H-H2O]+ 321.22184 184.5
[M+HCOO]- 383.22278 207.4
[M+CH3COO]- 397.23843 212.4
[M+Na-2H]- 359.19925 186.6
[M]+ 338.22403 190.8
[M]- 338.22513 190.8
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.