CID 54470093

Dtxsid401294010

Structural Information

Molecular Formula
C15H22NO4
SMILES
C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C15H21NO4/c1-16(2,3)9-10-20-15(18)8-6-12-5-7-13(17)14(11-12)19-4/h5-8,11H,9-10H2,1-4H3/p+1
InChIKey
XHSNXOZZHHJDDX-UHFFFAOYSA-O
Compound name
2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

280.15488 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16216 164.0
[M+Na]+ 303.14410 170.3
[M-H]- 279.14760 167.9
[M+NH4]+ 298.18870 180.1
[M+K]+ 319.11804 163.1
[M+H-H2O]+ 263.15214 160.5
[M+HCOO]- 325.15308 185.9
[M+CH3COO]- 339.16873 195.6
[M+Na-2H]- 301.12955 170.3
[M]+ 280.15433 167.4
[M]- 280.15543 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

literature stripe

Patent stripe

No patent data available for this compound.