CID 4286757

2-chloro-n-propylnicotinamide

Structural Information

Molecular Formula

C₉H₁₁ClN₂O

SMILES

CCCNC(=O)C1=C(N=CC=C1)Cl

InChI

InChI=1S/C9H11ClN2O/c1-2-5-12-9(13)7-4-3-6-11-8(7)10/h3-4,6H,2,5H2,1H3,(H,12,13)

InChIKey

UPOCZVXEQZKZKE-UHFFFAOYSA-N

Compound name

2-chloro-N-propylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 198.05598 Da
Monoisotopic Mass: 2.0
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]+	199.063256	140.8
[M+Na]+	221.045198	149.1
[M-H]-	197.048704	143.0
[M+NH4]+	216.089803	159.5
[M+K]+	237.019138	145.4
[M+H-H2O]+	181.053240	134.7
[M+HCOO]-	243.054181	159.9
[M+CH3COO]-	257.069831	185.0
[M+Na-2H]-	219.030646	146.9
[M]+	198.05543142	142.8
[M]-	198.05652858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe