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: 11
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]+	174.14887	141.2
[M+Na]+	196.13081	149.6
[M+NH4]+	191.17541	148.0
[M+K]+	212.10475	144.1
[M-H]-	172.13431	140.4
[M+Na-2H]-	194.11626	143.8
[M]+	173.14104	141.8
[M]-	173.14214	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe