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]+ 287.23696 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

No patent data available for this compound.