CID 5321103

Alpha-santalal

Structural Information

Molecular Formula
C15H22O
SMILES
C/C(=C/CCC1(C2CC3C1(C3C2)C)C)/C=O
InChI
InChI=1S/C15H22O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,9,11-13H,4,6-8H2,1-3H3/b10-5-
InChIKey
SHEUEEZGXLCROM-YHYXMXQVSA-N
Compound name
(Z)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

218.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 149.1
[M+Na]+ 241.15629 158.1
[M+NH4]+ 236.20089 162.3
[M+K]+ 257.13023 154.5
[M-H]- 217.15979 154.4
[M+Na-2H]- 239.14174 151.0
[M]+ 218.16652 153.2
[M]- 218.16762 153.2
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