CID 124203914

1850419-05-4

Structural Information

Molecular Formula
C17H16NO2
SMILES
C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OC(=O)C=C
InChI
InChI=1S/C17H16NO2/c1-3-17(19)20-16-8-6-14(7-9-16)4-5-15-10-12-18(2)13-11-15/h3-13H,1H2,2H3/q+1/b5-4+
InChIKey
WXPMUYJTRFRBCY-SNAWJCMRSA-N
Compound name
[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1181 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12538 164.4
[M+Na]+ 289.10732 172.1
[M-H]- 265.11082 170.0
[M+NH4]+ 284.15192 179.2
[M+K]+ 305.08126 161.6
[M+H-H2O]+ 249.11536 158.7
[M+HCOO]- 311.11630 186.1
[M+CH3COO]- 325.13195 189.9
[M+Na-2H]- 287.09277 170.4
[M]+ 266.11755 164.5
[M]- 266.11865 164.5
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.