CID 58010

100800-71-3

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₃

SMILES

CCOC1=C(C=CC(=C1)N)C(=O)OCCN(C)C

InChI

InChI=1S/C13H20N2O3/c1-4-17-12-9-10(14)5-6-11(12)13(16)18-8-7-15(2)3/h5-6,9H,4,7-8,14H2,1-3H3

InChIKey

SHRVSCQZDGGLLI-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 4-amino-2-ethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.1474 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.15468	159.1
[M+Na]+	275.13662	164.9
[M-H]-	251.14012	163.6
[M+NH4]+	270.18122	176.2
[M+K]+	291.11056	164.6
[M+H-H2O]+	235.14466	151.7
[M+HCOO]-	297.14560	184.1
[M+CH3COO]-	311.16125	203.9
[M+Na-2H]-	273.12207	161.2
[M]+	252.14685	162.8
[M]-	252.14795	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe