CID 406972

Ethyl 6-aminohexanoate hydrochloride

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCOC(=O)CCCCCN

InChI

InChI=1S/C8H17NO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7,9H2,1H3

InChIKey

NJNQDCIAOXIFTB-UHFFFAOYSA-N

Compound name

ethyl 6-aminohexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 723
Patents: 159.12593 Da
Monoisotopic Mass: 0.5
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]+	160.133206	137.9
[M+Na]+	182.115148	143.5
[M-H]-	158.118654	137.3
[M+NH4]+	177.159753	158.3
[M+K]+	198.089088	143.1
[M+H-H2O]+	142.123190	132.5
[M+HCOO]-	204.124131	161.1
[M+CH3COO]-	218.139781	180.5
[M+Na-2H]-	180.100596	141.7
[M]+	159.12538142	139.5
[M]-	159.12647858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe