CID 5281535

Beta-sinensal

Structural Information

Molecular Formula
C15H22O
SMILES
C/C(=C\CCC(=C)C=C)/CC/C=C(\C)/C=O
InChI
InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+
InChIKey
NOPLRNXKHZRXHT-YFVJMOTDSA-N
Compound name
(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

2478
Patents

218.16707 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 158.0
[M+Na]+ 241.15629 166.5
[M+NH4]+ 236.20089 163.6
[M+K]+ 257.13023 159.9
[M-H]- 217.15979 155.9
[M+Na-2H]- 239.14174 158.6
[M]+ 218.16652 158.2
[M]- 218.16762 158.2
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