CID 6437379

Mucidin

Structural Information

Molecular Formula
C16H18O3
SMILES
C/C(=C/C=C/C1=CC=CC=C1)/C(=C\OC)/C(=O)OC
InChI
InChI=1S/C16H18O3/c1-13(15(12-18-2)16(17)19-3)8-7-11-14-9-5-4-6-10-14/h4-12H,1-3H3/b11-7+,13-8-,15-12+
InChIKey
JSCQSBGXKRTPHZ-SYKZHUKTSA-N
Compound name
methyl (2E,3Z,5E)-2-(methoxymethylidene)-3-methyl-6-phenylhexa-3,5-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

54
References

349
Patents

258.12558 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.13286 162.2
[M+Na]+ 281.11480 172.6
[M+NH4]+ 276.15940 168.2
[M+K]+ 297.08874 166.5
[M-H]- 257.11830 162.2
[M+Na-2H]- 279.10025 166.3
[M]+ 258.12503 163.4
[M]- 258.12613 163.4
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