CID 75874

2664-61-1

Structural Information

Molecular Formula

C₉H₁₈N₄O₃

SMILES

C(CN(CCC(=O)N)CCC(=O)N)C(=O)N

InChI

InChI=1S/C9H18N4O3/c10-7(14)1-4-13(5-2-8(11)15)6-3-9(12)16/h1-6H2,(H2,10,14)(H2,11,15)(H2,12,16)

InChIKey

RERXJGPPGMABOY-UHFFFAOYSA-N

Compound name

3-[bis(3-amino-3-oxopropyl)amino]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 444
Patents: 230.1379 Da
Monoisotopic Mass: -3.2
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]+	231.145176	153.9
[M+Na]+	253.127118	156.6
[M-H]-	229.130624	153.5
[M+NH4]+	248.171723	169.8
[M+K]+	269.101058	157.3
[M+H-H2O]+	213.135160	146.3
[M+HCOO]-	275.136101	177.6
[M+CH3COO]-	289.151751	204.3
[M+Na-2H]-	251.112566	152.6
[M]+	230.13735142	151.3
[M]-	230.13844858	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe