CID 43142787

1258651-73-8

Structural Information

Molecular Formula

C₁₀H₁₆N₄

SMILES

C1CC(CNC1)C2=NN=C3N2CCC3

InChI

InChI=1S/C10H16N4/c1-3-8(7-11-5-1)10-13-12-9-4-2-6-14(9)10/h8,11H,1-7H2

InChIKey

PLXWEVMKYRZMMI-UHFFFAOYSA-N

Compound name

3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 192.1375 Da
Monoisotopic Mass: -0.1
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]+	193.14478	144.8
[M+Na]+	215.12672	150.7
[M-H]-	191.13022	144.9
[M+NH4]+	210.17132	162.1
[M+K]+	231.10066	147.4
[M+H-H2O]+	175.13476	135.2
[M+HCOO]-	237.13570	159.3
[M+CH3COO]-	251.15135	155.1
[M+Na-2H]-	213.11217	146.4
[M]+	192.13695	137.8
[M]-	192.13805	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe