CID 52940244

Schembl13903777

Structural Information

Molecular Formula
C19H22O2
SMILES
C/C(=C\C=C\C=C(/C)\C=C\C=O)/C=C/C=C(\C)/C=C/C=O
InChI
InChI=1S/C19H22O2/c1-17(11-6-12-19(3)14-8-16-21)9-4-5-10-18(2)13-7-15-20/h4-16H,1-3H3/b5-4+,11-6+,13-7+,14-8+,17-9+,18-10+,19-12+
InChIKey
NZCSCAGBYIYATR-UXBHNABYSA-N
Compound name
(2E,4E,6E,8E,10E,12E,14E)-4,8,13-trimethylhexadeca-2,4,6,8,10,12,14-heptaenedial
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

282.162 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16928 174.9
[M+Na]+ 305.15122 182.4
[M+NH4]+ 300.19582 178.2
[M+K]+ 321.12516 175.0
[M-H]- 281.15472 171.1
[M+Na-2H]- 303.13667 173.6
[M]+ 282.16145 174.2
[M]- 282.16255 174.2
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