CID 914801

3,4-dimethoxy-gamma-oxo-n,n,n-trimethylbenzenepropanaminium iodide

Structural Information

Molecular Formula
C14H22NO3
SMILES
C[N+](C)(C)CCC(=O)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C14H22NO3/c1-15(2,3)9-8-12(16)11-6-7-13(17-4)14(10-11)18-5/h6-7,10H,8-9H2,1-5H3/q+1
InChIKey
WZTKXIRTEBHVHN-UHFFFAOYSA-N
Compound name
[3-(3,4-dimethoxyphenyl)-3-oxopropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15997 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16725 156.7
[M+Na]+ 275.14919 163.6
[M-H]- 251.15269 162.1
[M+NH4]+ 270.19379 174.6
[M+K]+ 291.12313 157.5
[M+H-H2O]+ 235.15723 153.2
[M+HCOO]- 297.15817 179.9
[M+CH3COO]- 311.17382 195.6
[M+Na-2H]- 273.13464 163.8
[M]+ 252.15942 161.0
[M]- 252.16052 161.0
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.