CID 439199

Fibrin

Structural Information

Molecular Formula

C₅H₁₁N₃O₂

SMILES

CNC(=O)CNC(=O)CN

InChI

InChI=1S/C5H11N3O2/c1-7-5(10)3-8-4(9)2-6/h2-3,6H2,1H3,(H,7,10)(H,8,9)

InChIKey

BWGVNKXGVNDBDI-UHFFFAOYSA-N

Compound name

2-amino-N-[2-(methylamino)-2-oxoethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 16426
References: 23549
Patents: 145.08513 Da
Monoisotopic Mass: -2.5
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]+	146.09241	131.2
[M+Na]+	168.07435	137.2
[M+NH4]+	163.11895	137.0
[M+K]+	184.04829	134.4
[M-H]-	144.07785	130.3
[M+Na-2H]-	166.05980	133.1
[M]+	145.08458	131.0
[M]-	145.08568	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe