CID 64973844

Methyl 3-(methoxyamino)butanoate

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CC(CC(=O)OC)NOC

InChI

InChI=1S/C6H13NO3/c1-5(7-10-3)4-6(8)9-2/h5,7H,4H2,1-3H3

InChIKey

KJKSLJKIWKNZAK-UHFFFAOYSA-N

Compound name

methyl 3-(methoxyamino)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.08954 Da
Monoisotopic Mass: 0.1
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]+	148.09682	131.2
[M+Na]+	170.07876	139.4
[M+NH4]+	165.12336	137.8
[M+K]+	186.05270	135.9
[M-H]-	146.08226	129.8
[M+Na-2H]-	168.06421	133.7
[M]+	147.08899	131.5
[M]-	147.09009	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.