CID 8612

Chloroprocaine

Structural Information

Molecular Formula

C₁₃H₁₉ClN₂O₂

SMILES

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

InChI

InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3

InChIKey

VDANGULDQQJODZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 441
References: 80037
Patents: 270.1135 Da
Monoisotopic Mass: 2.9
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]+	271.12078	163.0
[M+Na]+	293.10272	169.7
[M-H]-	269.10622	167.3
[M+NH4]+	288.14732	180.4
[M+K]+	309.07666	166.8
[M+H-H2O]+	253.11076	156.7
[M+HCOO]-	315.11170	183.3
[M+CH3COO]-	329.12735	205.4
[M+Na-2H]-	291.08817	164.6
[M]+	270.11295	167.4
[M]-	270.11405	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe