CID 4962747

852627-78-2

Structural Information

Molecular Formula

C₁₁H₁₄N₄

SMILES

C1CNCCC1C2=NN=C3N2C=CC=C3

InChI

InChI=1S/C11H14N4/c1-2-8-15-10(3-1)13-14-11(15)9-4-6-12-7-5-9/h1-3,8-9,12H,4-7H2

InChIKey

AQOMRKUKXBCFMY-UHFFFAOYSA-N

Compound name

3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 202.12184 Da
Monoisotopic Mass: 1.3
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	144.9
[M+Na]+	225.11106	158.5
[M+NH4]+	220.15566	153.2
[M+K]+	241.08500	153.2
[M-H]-	201.11456	147.0
[M+Na-2H]-	223.09651	152.4
[M]+	202.12129	147.3
[M]-	202.12239	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe