CID 529648

Kaur-16-en-19-al

Structural Information

Molecular Formula
C20H30O
SMILES
CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)C=O
InChI
InChI=1S/C20H30O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h13,15-17H,1,4-12H2,2-3H3
InChIKey
JCAVDWHQNFTFBW-UHFFFAOYSA-N
Compound name
5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

142
Patents

286.22968 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.23696 172.9
[M+Na]+ 309.21890 178.0
[M-H]- 285.22240 176.2
[M+NH4]+ 304.26350 199.1
[M+K]+ 325.19284 171.5
[M+H-H2O]+ 269.22694 166.0
[M+HCOO]- 331.22788 182.3
[M+CH3COO]- 345.24353 182.1
[M+Na-2H]- 307.20435 174.2
[M]+ 286.22913 165.6
[M]- 286.23023 165.6
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

patents stripe