CID 11513793

2-(cyclopropylamino)nicotinonitrile

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

C1CC1NC2=C(C=CC=N2)C#N

InChI

InChI=1S/C9H9N3/c10-6-7-2-1-5-11-9(7)12-8-3-4-8/h1-2,5,8H,3-4H2,(H,11,12)

InChIKey

NQVWMXLKPISDFN-UHFFFAOYSA-N

Compound name

2-(cyclopropylamino)pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 159.07965 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]+	160.086926	131.6
[M+Na]+	182.068868	146.7
[M-H]-	158.072374	138.5
[M+NH4]+	177.113473	146.1
[M+K]+	198.042808	140.0
[M+H-H2O]+	142.076910	120.5
[M+HCOO]-	204.077851	154.3
[M+CH3COO]-	218.093501	194.8
[M+Na-2H]-	180.054316	140.8
[M]+	159.07910142	129.3
[M]-	159.08019858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe