CID 21118178

Schembl30496495

Structural Information

Molecular Formula

C₆H₁₂N₂O₄

SMILES

COC(=O)[C@H](CO)NC(=O)CN

InChI

InChI=1S/C6H12N2O4/c1-12-6(11)4(3-9)8-5(10)2-7/h4,9H,2-3,7H2,1H3,(H,8,10)/t4-/m0/s1

InChIKey

IZKCPSKYPGYKRF-BYPYZUCNSA-N

Compound name

methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 176.07971 Da
Monoisotopic Mass: -2.1
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]+	177.086986	137.8
[M+Na]+	199.068928	142.6
[M-H]-	175.072434	136.1
[M+NH4]+	194.113533	156.0
[M+K]+	215.042868	143.3
[M+H-H2O]+	159.076970	132.0
[M+HCOO]-	221.077911	159.8
[M+CH3COO]-	235.093561	181.6
[M+Na-2H]-	197.054376	139.8
[M]+	176.07916142	136.6
[M]-	176.08025858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe