CID 524257

Santalyl acetate

Structural Information

Molecular Formula
C17H26O2
SMILES
CC(=CCCC1(C2CCC(C2)C1=C)C)COC(=O)C
InChI
InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3
InChIKey
RCFGRZLLBGMERD-UHFFFAOYSA-N
Compound name
[2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.19327 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 167.8
[M+Na]+ 285.18249 174.4
[M+NH4]+ 280.22709 176.4
[M+K]+ 301.15643 170.0
[M-H]- 261.18599 166.6
[M+Na-2H]- 283.16794 167.4
[M]+ 262.19272 168.1
[M]- 262.19382 168.1
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

patents stripe