CID 12310433

15797-38-3

Structural Information

Molecular Formula
C14H22NO4
SMILES
C[N+](C)(C)CCOC(=O)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C14H22NO4/c1-15(2,3)8-9-19-14(16)11-6-7-12(17-4)13(10-11)18-5/h6-7,10H,8-9H2,1-5H3/q+1
InChIKey
IXSHJXHXZYUCPK-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxybenzoyl)oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15488 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16216 160.2
[M+Na]+ 291.14410 167.0
[M-H]- 267.14760 165.6
[M+NH4]+ 286.18870 177.5
[M+K]+ 307.11804 161.5
[M+H-H2O]+ 251.15214 156.5
[M+HCOO]- 313.15308 183.7
[M+CH3COO]- 327.16873 196.9
[M+Na-2H]- 289.12955 167.4
[M]+ 268.15433 165.8
[M]- 268.15543 165.8
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.