CID 81057148

1521340-43-1

Structural Information

Molecular Formula

C₁₀H₁₄N₆

SMILES

C1CCN2C(=NN=C2CN3C=C(C=N3)N)C1

InChI

InChI=1S/C10H14N6/c11-8-5-12-15(6-8)7-10-14-13-9-3-1-2-4-16(9)10/h5-6H,1-4,7,11H2

InChIKey

ORIUWFNGETZMDI-UHFFFAOYSA-N

Compound name

1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.12799 Da
Monoisotopic Mass: -0.6
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]+	219.135266	147.1
[M+Na]+	241.117208	156.7
[M-H]-	217.120714	148.5
[M+NH4]+	236.161813	162.8
[M+K]+	257.091148	152.7
[M+H-H2O]+	201.125250	136.9
[M+HCOO]-	263.126191	166.6
[M+CH3COO]-	277.141841	158.7
[M+Na-2H]-	239.102656	151.3
[M]+	218.12744142	145.7
[M]-	218.12853858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.