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
3
Annotation Hits

54
References

541
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 161.8
[M+Na]+ 281.11480 166.9
[M-H]- 257.11830 164.6
[M+NH4]+ 276.15940 178.4
[M+K]+ 297.08874 163.9
[M+H-H2O]+ 241.12284 155.1
[M+HCOO]- 303.12378 182.6
[M+CH3COO]- 317.13943 194.9
[M+Na-2H]- 279.10025 162.6
[M]+ 258.12503 163.6
[M]- 258.12613 163.6
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

patents stripe