CID 146216432

2580104-27-2

Structural Information

Molecular Formula

C₆H₁₂N₂O₄

SMILES

COC(=O)NCC[C@@H](C(=O)O)N

InChI

InChI=1S/C6H12N2O4/c1-12-6(11)8-3-2-4(7)5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1

InChIKey

FGUNDKQLPBKUQY-BYPYZUCNSA-N

Compound name

(2S)-2-amino-4-(methoxycarbonylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 176.07971 Da
Monoisotopic Mass: -3.3
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]+	177.08699	138.0
[M+Na]+	199.06893	143.3
[M+NH4]+	194.11353	142.5
[M+K]+	215.04287	142.1
[M-H]-	175.07243	135.0
[M+Na-2H]-	197.05438	138.1
[M]+	176.07916	137.1
[M]-	176.08026	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe