CID 23539987

Methyl 2-amino-5-oxohexanoate hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CC(=O)CCC(C(=O)OC)N

InChI

InChI=1S/C7H13NO3/c1-5(9)3-4-6(8)7(10)11-2/h6H,3-4,8H2,1-2H3

InChIKey

YSOKXVWKPBSXLG-UHFFFAOYSA-N

Compound name

methyl 2-amino-5-oxohexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 159.08954 Da
Monoisotopic Mass: -0.7
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	135.2
[M+Na]+	182.07876	141.1
[M-H]-	158.08226	135.0
[M+NH4]+	177.12336	155.4
[M+K]+	198.05270	141.8
[M+H-H2O]+	142.08680	130.1
[M+HCOO]-	204.08774	157.3
[M+CH3COO]-	218.10339	180.4
[M+Na-2H]-	180.06421	137.1
[M]+	159.08899	135.9
[M]-	159.09009	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe