CID 68097

Hydroxyprocaine

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₃

SMILES

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)O

InChI

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

InChIKey

GHSCYMOJHVOGDJ-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 4-amino-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2220
Patents: 252.1474 Da
Monoisotopic Mass: 2.4
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	159.4
[M+Na]+	275.13662	164.8
[M-H]-	251.14012	162.5
[M+NH4]+	270.18122	175.9
[M+K]+	291.11056	163.7
[M+H-H2O]+	235.14466	152.2
[M+HCOO]-	297.14560	182.9
[M+CH3COO]-	311.16125	201.4
[M+Na-2H]-	273.12207	161.1
[M]+	252.14685	161.2
[M]-	252.14795	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe