CID 333666

1246172-43-9

Structural Information

Molecular Formula

C₇H₁₇N₃O

SMILES

CC(C(=O)NCCN(C)C)N

InChI

InChI=1S/C7H17N3O/c1-6(8)7(11)9-4-5-10(2)3/h6H,4-5,8H2,1-3H3,(H,9,11)

InChIKey

AMNOWWABRXGCPA-UHFFFAOYSA-N

Compound name

2-amino-N-[2-(dimethylamino)ethyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 159.13716 Da
Monoisotopic Mass: -0.9
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]+	160.14444	139.1
[M+Na]+	182.12638	143.3
[M-H]-	158.12988	140.1
[M+NH4]+	177.17098	159.3
[M+K]+	198.10032	144.6
[M+H-H2O]+	142.13442	132.8
[M+HCOO]-	204.13536	163.8
[M+CH3COO]-	218.15101	189.9
[M+Na-2H]-	180.11183	141.6
[M]+	159.13661	137.8
[M]-	159.13771	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe