CID 105433178

2173996-16-0

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

CC(C)(C)N1C=CC=C(C1=O)N

InChI

InChI=1S/C9H14N2O/c1-9(2,3)11-6-4-5-7(10)8(11)12/h4-6H,10H2,1-3H3

InChIKey

WNYVQLCQPNUYET-UHFFFAOYSA-N

Compound name

3-amino-1-tert-butylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 166.11061 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]+	167.117886	135.4
[M+Na]+	189.099828	144.7
[M-H]-	165.103334	138.1
[M+NH4]+	184.144433	155.0
[M+K]+	205.073768	142.6
[M+H-H2O]+	149.107870	129.7
[M+HCOO]-	211.108811	158.0
[M+CH3COO]-	225.124461	181.2
[M+Na-2H]-	187.085276	142.2
[M]+	166.11006142	135.1
[M]-	166.11115858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe