CID 9837867

Edronocaine

Structural Information

Molecular Formula

C₁₅H₂₅NO₂

SMILES

CCCOC1=CC(=CC=C1)OCCN(C)C(C)C

InChI

InChI=1S/C15H25NO2/c1-5-10-17-14-7-6-8-15(12-14)18-11-9-16(4)13(2)3/h6-8,12-13H,5,9-11H2,1-4H3

InChIKey

NUZYBIKIXLKGKN-UHFFFAOYSA-N

Compound name

N-methyl-N-[2-(3-propoxyphenoxy)ethyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 251.18852 Da
Monoisotopic Mass: 3.6
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]+	252.195796	162.5
[M+Na]+	274.177738	167.2
[M-H]-	250.181244	166.8
[M+NH4]+	269.222343	180.2
[M+K]+	290.151678	166.8
[M+H-H2O]+	234.185780	155.1
[M+HCOO]-	296.186721	186.1
[M+CH3COO]-	310.202371	203.8
[M+Na-2H]-	272.163186	165.0
[M]+	251.18797142	167.8
[M]-	251.18906858	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe