CID 101449606

Beta-santalal

Structural Information

Molecular Formula
C15H22O
SMILES
C/C(=C/CCC1(C2CCC(C2)C1=C)C)/C=O
InChI
InChI=1S/C15H22O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,10,13-14H,2,4,6-9H2,1,3H3/b11-5-
InChIKey
YFOIGZMLDYUPOI-WZUFQYTHSA-N
Compound name
(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

218.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 156.5
[M+Na]+ 241.156288 163.4
[M-H]- 217.159794 159.0
[M+NH4]+ 236.200893 182.4
[M+K]+ 257.130228 159.1
[M+H-H2O]+ 201.164330 152.9
[M+HCOO]- 263.165271 175.5
[M+CH3COO]- 277.180921 191.0
[M+Na-2H]- 239.141736 156.4
[M]+ 218.16652142 156.0
[M]- 218.16761858 156.0
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