CID 6434787

(3-cinnamoyloxy)phenyltrimethylammonium bromide

Structural Information

Molecular Formula
C18H20NO2
SMILES
C[N+](C)(C)C1=CC(=CC=C1)OC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H20NO2/c1-19(2,3)16-10-7-11-17(14-16)21-18(20)13-12-15-8-5-4-6-9-15/h4-14H,1-3H3/q+1/b13-12+
InChIKey
BEJIIOSPLHCYOV-OUKQBFOZSA-N
Compound name
trimethyl-[3-[(E)-3-phenylprop-2-enoyl]oxyphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1494 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15668 167.0
[M+Na]+ 305.13862 172.8
[M-H]- 281.14212 175.0
[M+NH4]+ 300.18322 182.9
[M+K]+ 321.11256 164.0
[M+H-H2O]+ 265.14666 161.8
[M+HCOO]- 327.14760 190.2
[M+CH3COO]- 341.16325 197.8
[M+Na-2H]- 303.12407 174.7
[M]+ 282.14885 167.4
[M]- 282.14995 167.4
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.