CID 5463796

32998-95-1

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

CC1=C(N=CC=C1)C(=O)NC(C)(C)C

InChI

InChI=1S/C11H16N2O/c1-8-6-5-7-12-9(8)10(14)13-11(2,3)4/h5-7H,1-4H3,(H,13,14)

InChIKey

XYBOIZQGIVYRFV-UHFFFAOYSA-N

Compound name

N-tert-butyl-3-methylpyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 192
Patents: 192.12627 Da
Monoisotopic Mass: 1.8
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]+	193.13355	144.4
[M+Na]+	215.11549	155.8
[M+NH4]+	210.16009	151.8
[M+K]+	231.08943	150.6
[M-H]-	191.11899	145.6
[M+Na-2H]-	213.10094	150.7
[M]+	192.12572	146.3
[M]-	192.12682	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe