CID 15881001

Ethyl 6-(methylamino)hexanoate hydrochloride

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CCOC(=O)CCCCCNC

InChI

InChI=1S/C9H19NO2/c1-3-12-9(11)7-5-4-6-8-10-2/h10H,3-8H2,1-2H3

InChIKey

ASRGBYKUXOPYAJ-UHFFFAOYSA-N

Compound name

ethyl 6-(methylamino)hexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 173.14159 Da
Monoisotopic Mass: 1.1
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]+	174.148866	142.0
[M+Na]+	196.130808	147.2
[M-H]-	172.134314	141.8
[M+NH4]+	191.175413	162.2
[M+K]+	212.104748	147.0
[M+H-H2O]+	156.138850	136.5
[M+HCOO]-	218.139791	165.6
[M+CH3COO]-	232.155441	184.3
[M+Na-2H]-	194.116256	146.4
[M]+	173.14104142	145.1
[M]-	173.14213858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe