CID 6475132

Matricaria ester

Structural Information

Molecular Formula
C16H16O4
SMILES
C/C=C(\C)/C(=O)OC/C=C\C#CC#C/C=C\C(=O)OC
InChI
InChI=1S/C16H16O4/c1-4-14(2)16(18)20-13-11-9-7-5-6-8-10-12-15(17)19-3/h4,9-12H,13H2,1-3H3/b11-9-,12-10-,14-4+
InChIKey
BYGJMPLSVFUVSR-RXEUAHTNSA-N
Compound name
methyl (2Z,8Z)-10-[(E)-2-methylbut-2-enoyl]oxydeca-2,8-dien-4,6-diynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 170.8
[M+Na]+ 295.09408 179.1
[M-H]- 271.09758 171.2
[M+NH4]+ 290.13868 181.6
[M+K]+ 311.06802 175.0
[M+H-H2O]+ 255.10212 156.8
[M+HCOO]- 317.10306 178.4
[M+CH3COO]- 331.11871 216.8
[M+Na-2H]- 293.07953 167.9
[M]+ 272.10431 164.7
[M]- 272.10541 164.7
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.