CID 28307015

3-(tert-butylamino)propanamide

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CC(C)(C)NCCC(=O)N

InChI

InChI=1S/C7H16N2O/c1-7(2,3)9-5-4-6(8)10/h9H,4-5H2,1-3H3,(H2,8,10)

InChIKey

GCKGKTYJDWPLCG-UHFFFAOYSA-N

Compound name

3-(tert-butylamino)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 144.12627 Da
Monoisotopic Mass: -0.4
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]+	145.13355	133.4
[M+Na]+	167.11549	140.8
[M+NH4]+	162.16009	140.2
[M+K]+	183.08943	137.2
[M-H]-	143.11899	132.6
[M+Na-2H]-	165.10094	136.1
[M]+	144.12572	133.8
[M]-	144.12682	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe