CID 90305

23959-27-5

Structural Information

Molecular Formula
C13H19NO4
SMILES
CN(C)CCOC(=O)C1=C(C(=CC=C1)OC)OC
InChI
InChI=1S/C13H19NO4/c1-14(2)8-9-18-13(15)10-6-5-7-11(16-3)12(10)17-4/h5-7H,8-9H2,1-4H3
InChIKey
OFNAWPNFBBLFBE-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2,3-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.138686 156.9
[M+Na]+ 276.120628 163.6
[M-H]- 252.124134 162.0
[M+NH4]+ 271.165233 174.6
[M+K]+ 292.094568 164.2
[M+H-H2O]+ 236.128670 149.8
[M+HCOO]- 298.129611 181.8
[M+CH3COO]- 312.145261 201.5
[M+Na-2H]- 274.106076 160.0
[M]+ 253.13086142 163.9
[M]- 253.13195858 163.9
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.