CID 131752163

A-santalyl phenylacetate

Structural Information

Molecular Formula
C23H30O2
SMILES
C/C(=C/CCC1(C2CC3C1(C3C2)C)C)/COC(=O)CC4=CC=CC=C4
InChI
InChI=1S/C23H30O2/c1-16(15-25-21(24)12-17-9-5-4-6-10-17)8-7-11-22(2)18-13-19-20(14-18)23(19,22)3/h4-6,8-10,18-20H,7,11-15H2,1-3H3/b16-8-
InChIKey
ISBNMFLPVWHCIH-PXNMLYILSA-N
Compound name
[(Z)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-enyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.22458 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.23186 181.3
[M+Na]+ 361.21380 188.2
[M-H]- 337.21730 185.7
[M+NH4]+ 356.25840 202.9
[M+K]+ 377.18774 182.0
[M+H-H2O]+ 321.22184 177.8
[M+HCOO]- 383.22278 194.5
[M+CH3COO]- 397.23843 191.0
[M+Na-2H]- 359.19925 181.7
[M]+ 338.22403 191.6
[M]- 338.22513 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.