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]+ 254.13869 156.9
[M+Na]+ 276.12063 163.6
[M-H]- 252.12413 162.0
[M+NH4]+ 271.16523 174.6
[M+K]+ 292.09457 164.2
[M+H-H2O]+ 236.12867 149.8
[M+HCOO]- 298.12961 181.8
[M+CH3COO]- 312.14526 201.5
[M+Na-2H]- 274.10608 160.0
[M]+ 253.13086 163.9
[M]- 253.13196 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.