CID 506607

N-isopropylnicotinamide

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CC(C)NC(=O)C1=CN=CC=C1

InChI

InChI=1S/C9H12N2O/c1-7(2)11-9(12)8-4-3-5-10-6-8/h3-7H,1-2H3,(H,11,12)

InChIKey

ULLMVAPKQOJUCZ-UHFFFAOYSA-N

Compound name

N-propan-2-ylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 164.09496 Da
Monoisotopic Mass: 0.6
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]+	165.102236	135.4
[M+Na]+	187.084178	141.8
[M-H]-	163.087684	137.6
[M+NH4]+	182.128783	154.3
[M+K]+	203.058118	140.6
[M+H-H2O]+	147.092220	128.5
[M+HCOO]-	209.093161	158.2
[M+CH3COO]-	223.108811	180.9
[M+Na-2H]-	185.069626	141.5
[M]+	164.09441142	134.5
[M]-	164.09550858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe