CID 90658121

Syn-stemoden-19-al

Structural Information

Molecular Formula
C20H30O
SMILES
C[C@@]1(CCC[C@]2([C@H]1CC[C@@H]3[C@]24CCC(=C)[C@@H](C3)C4)C)C=O
InChI
InChI=1S/C20H30O/c1-14-7-10-20-12-15(14)11-16(20)5-6-17-18(2,13-21)8-4-9-19(17,20)3/h13,15-17H,1,4-12H2,2-3H3/t15-,16-,17-,18+,19-,20+/m0/s1
InChIKey
YQYYGHCVTSEEQC-YDRVBMSGSA-N
Compound name
(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

286.22968 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.236956 172.9
[M+Na]+ 309.218898 178.0
[M-H]- 285.222404 176.2
[M+NH4]+ 304.263503 199.1
[M+K]+ 325.192838 171.5
[M+H-H2O]+ 269.226940 166.0
[M+HCOO]- 331.227881 182.3
[M+CH3COO]- 345.243531 182.1
[M+Na-2H]- 307.204346 174.2
[M]+ 286.22913142 165.6
[M]- 286.23022858 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

No patent data available for this compound.