CID 559296

77300-48-2

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCCCC(C(=O)OC)N

InChI

InChI=1S/C7H15NO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5,8H2,1-2H3

InChIKey

TVZNFYXAPXOARC-UHFFFAOYSA-N

Compound name

methyl 2-aminohexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 881
Patents: 145.11028 Da
Monoisotopic Mass: 1.0
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]+	146.11756	133.8
[M+Na]+	168.09950	139.7
[M-H]-	144.10300	133.5
[M+NH4]+	163.14410	154.8
[M+K]+	184.07344	140.0
[M+H-H2O]+	128.10754	128.8
[M+HCOO]-	190.10848	156.4
[M+CH3COO]-	204.12413	178.4
[M+Na-2H]-	166.08495	136.9
[M]+	145.10973	134.4
[M]-	145.11083	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe