CID 7019721

200624-59-5

Structural Information

Molecular Formula

C₅H₁₁N₃O₂

SMILES

C(CC(=O)N)[C@H](C(=O)N)N

InChI

InChI=1S/C5H11N3O2/c6-3(5(8)10)1-2-4(7)9/h3H,1-2,6H2,(H2,7,9)(H2,8,10)/t3-/m1/s1

InChIKey

LCGISIDBXHGCDW-GSVOUGTGSA-N

Compound name

(2R)-2-aminopentanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 145.08513 Da
Monoisotopic Mass: -1.5
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	131.6
[M+Na]+	168.07435	136.4
[M-H]-	144.07785	130.5
[M+NH4]+	163.11895	150.8
[M+K]+	184.04829	136.5
[M+H-H2O]+	128.08239	125.7
[M+HCOO]-	190.08333	154.6
[M+CH3COO]-	204.09898	182.1
[M+Na-2H]-	166.05980	132.6
[M]+	145.08458	126.3
[M]-	145.08568	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe