CID 465394

N-(aminomethyl)succinamic acid

Structural Information

Molecular Formula

C₅H₁₀N₂O₃

SMILES

C(CC(=O)O)C(=O)NCN

InChI

InChI=1S/C5H10N2O3/c6-3-7-4(8)1-2-5(9)10/h1-3,6H2,(H,7,8)(H,9,10)

InChIKey

QDILBYVMDFZEFI-UHFFFAOYSA-N

Compound name

4-(aminomethylamino)-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 146.06914 Da
Monoisotopic Mass: -4.2
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]+	147.07642	130.1
[M+Na]+	169.05836	135.6
[M-H]-	145.06186	128.5
[M+NH4]+	164.10296	149.6
[M+K]+	185.03230	135.4
[M+H-H2O]+	129.06640	124.7
[M+HCOO]-	191.06734	153.1
[M+CH3COO]-	205.08299	176.0
[M+Na-2H]-	167.04381	133.8
[M]+	146.06859	127.8
[M]-	146.06969	127.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.