CID 28065382

915920-57-9

Structural Information

Molecular Formula

C₈H₁₁N₅O

SMILES

CC1=NN=C2N1N=C(C=C2)NCCO

InChI

InChI=1S/C8H11N5O/c1-6-10-11-8-3-2-7(9-4-5-14)12-13(6)8/h2-3,14H,4-5H2,1H3,(H,9,12)

InChIKey

VRKDRVISLKMWRQ-UHFFFAOYSA-N

Compound name

2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.09636 Da
Monoisotopic Mass: -0.2
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]+	194.103636	140.0
[M+Na]+	216.085578	150.8
[M-H]-	192.089084	138.8
[M+NH4]+	211.130183	156.4
[M+K]+	232.059518	147.2
[M+H-H2O]+	176.093620	131.5
[M+HCOO]-	238.094561	161.4
[M+CH3COO]-	252.110211	152.6
[M+Na-2H]-	214.071026	148.7
[M]+	193.09581142	142.2
[M]-	193.09690858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.