CID 6448346

Methoxymucidin

Structural Information

Molecular Formula
C17H20O4
SMILES
C/C(=C\C=C/C1=CC=C(C=C1)OC)/C(=C\OC)/C(=O)OC
InChI
InChI=1S/C17H20O4/c1-13(16(12-19-2)17(18)21-4)6-5-7-14-8-10-15(20-3)11-9-14/h5-12H,1-4H3/b7-5-,13-6+,16-12+
InChIKey
VHMKGBYCXDBNFU-LWXRDYOCSA-N
Compound name
methyl (2E,3E,5Z)-2-(methoxymethylidene)-6-(4-methoxyphenyl)-3-methylhexa-3,5-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

288.13617 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 168.2
[M+Na]+ 311.12539 173.7
[M-H]- 287.12889 171.2
[M+NH4]+ 306.16999 183.8
[M+K]+ 327.09933 171.1
[M+H-H2O]+ 271.13343 161.4
[M+HCOO]- 333.13437 189.0
[M+CH3COO]- 347.15002 201.1
[M+Na-2H]- 309.11084 168.0
[M]+ 288.13562 172.3
[M]- 288.13672 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.