CID 416232

77465-10-2

Structural Information

Molecular Formula

C₄H₁₀N₂O₃

SMILES

COC(=O)C(CON)N

InChI

InChI=1S/C4H10N2O3/c1-8-4(7)3(5)2-9-6/h3H,2,5-6H2,1H3

InChIKey

HHNCSOBCRULFAB-UHFFFAOYSA-N

Compound name

methyl 2-amino-3-aminooxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 134.06914 Da
Monoisotopic Mass: -1.7
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]+	135.076416	126.6
[M+Na]+	157.058358	132.7
[M-H]-	133.061864	126.1
[M+NH4]+	152.102963	147.1
[M+K]+	173.032298	133.9
[M+H-H2O]+	117.066400	121.1
[M+HCOO]-	179.067341	150.7
[M+CH3COO]-	193.082991	175.8
[M+Na-2H]-	155.043806	130.3
[M]+	134.06859142	125.6
[M]-	134.06968858	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe