CID 131751234

Methyl (2e,4z,6e,8e,10e,12e,14e)-4,8,13-trimethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoate

Structural Information

Molecular Formula
C20H24O3
SMILES
C/C(=C\C=C\C=C(/C)\C=C\C=O)/C=C/C=C(/C)\C=C\C(=O)OC
InChI
InChI=1S/C20H24O3/c1-17(9-5-6-10-18(2)13-8-16-21)11-7-12-19(3)14-15-20(22)23-4/h5-16H,1-4H3/b6-5+,11-7+,13-8+,15-14+,17-9+,18-10+,19-12-
InChIKey
NXZZZYUALZNGOO-OKMAZBOSSA-N
Compound name
methyl (2E,4Z,6E,8E,10E,12E,14E)-4,8,13-trimethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.17255 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.179826 178.0
[M+Na]+ 335.161768 182.0
[M-H]- 311.165274 176.7
[M+NH4]+ 330.206373 192.7
[M+K]+ 351.135708 176.0
[M+H-H2O]+ 295.169810 172.2
[M+HCOO]- 357.170751 196.0
[M+CH3COO]- 371.186401 205.3
[M+Na-2H]- 333.147216 173.4
[M]+ 312.17200142 179.6
[M]- 312.17309858 179.6
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.