CID 46655

64046-64-6

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

CCCOC(=O)CON

InChI

InChI=1S/C5H11NO3/c1-2-3-8-5(7)4-9-6/h2-4,6H2,1H3

InChIKey

GWPVHBWNXDOOFQ-UHFFFAOYSA-N

Compound name

propyl 2-aminooxyacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 133.0739 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]+	134.081176	126.6
[M+Na]+	156.063118	133.4
[M-H]-	132.066624	126.5
[M+NH4]+	151.107723	148.0
[M+K]+	172.037058	134.3
[M+H-H2O]+	116.071160	121.5
[M+HCOO]-	178.072101	151.0
[M+CH3COO]-	192.087751	173.5
[M+Na-2H]-	154.048566	132.0
[M]+	133.07335142	128.5
[M]-	133.07444858	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe