CID 139084

N,n-dipropylnicotinamide

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CCCN(CCC)C(=O)C1=CN=CC=C1

InChI

InChI=1S/C12H18N2O/c1-3-8-14(9-4-2)12(15)11-6-5-7-13-10-11/h5-7,10H,3-4,8-9H2,1-2H3

InChIKey

WQTZSTUJSCNCBZ-UHFFFAOYSA-N

Compound name

N,N-dipropylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.1419 Da
Monoisotopic Mass: 1.4
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]+	207.14918	148.8
[M+Na]+	229.13112	154.3
[M-H]-	205.13462	151.8
[M+NH4]+	224.17572	166.7
[M+K]+	245.10506	153.3
[M+H-H2O]+	189.13916	141.0
[M+HCOO]-	251.14010	172.1
[M+CH3COO]-	265.15575	192.7
[M+Na-2H]-	227.11657	153.8
[M]+	206.14135	150.8
[M]-	206.14245	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe