CID 10654505

2110392-71-5

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

COC(=O)CCCC(=O)CN

InChI

InChI=1S/C7H13NO3/c1-11-7(10)4-2-3-6(9)5-8/h2-5,8H2,1H3

InChIKey

PRTHDMCLHDBANB-UHFFFAOYSA-N

Compound name

methyl 6-amino-5-oxohexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.08954 Da
Monoisotopic Mass: -0.8
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]+	160.09682	134.9
[M+Na]+	182.07876	141.0
[M-H]-	158.08226	134.6
[M+NH4]+	177.12336	155.1
[M+K]+	198.05270	141.2
[M+H-H2O]+	142.08680	129.7
[M+HCOO]-	204.08774	157.9
[M+CH3COO]-	218.10339	179.5
[M+Na-2H]-	180.06421	138.1
[M]+	159.08899	136.3
[M]-	159.09009	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.