CID 3042935

54864-89-0

Structural Information

Molecular Formula

C₁₁H₁₄N₄

SMILES

CN1CCN(CC1)C2=NC=C(C=C2)C#N

InChI

InChI=1S/C11H14N4/c1-14-4-6-15(7-5-14)11-3-2-10(8-12)9-13-11/h2-3,9H,4-7H2,1H3

InChIKey

IXWJXGCUFGKQTJ-UHFFFAOYSA-N

Compound name

6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 37
Patents: 202.12184 Da
Monoisotopic Mass: 0.8
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]+	203.12912	142.1
[M+Na]+	225.11106	150.4
[M-H]-	201.11456	142.5
[M+NH4]+	220.15566	154.9
[M+K]+	241.08500	146.1
[M+H-H2O]+	185.11910	126.0
[M+HCOO]-	247.12004	155.7
[M+CH3COO]-	261.13569	151.7
[M+Na-2H]-	223.09651	147.0
[M]+	202.12129	133.0
[M]-	202.12239	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe