CID 24700553

1807939-67-8

Structural Information

Molecular Formula

C₁₁H₁₆N₄

SMILES

CC(C)CC(C1=NN=C2N1C=CC=C2)N

InChI

InChI=1S/C11H16N4/c1-8(2)7-9(12)11-14-13-10-5-3-4-6-15(10)11/h3-6,8-9H,7,12H2,1-2H3

InChIKey

STGGMMMPXMVMBT-UHFFFAOYSA-N

Compound name

3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.1375 Da
Monoisotopic Mass: 1.8
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]+	205.144776	146.5
[M+Na]+	227.126718	155.1
[M-H]-	203.130224	147.0
[M+NH4]+	222.171323	164.1
[M+K]+	243.100658	152.0
[M+H-H2O]+	187.134760	138.2
[M+HCOO]-	249.135701	167.1
[M+CH3COO]-	263.151351	189.7
[M+Na-2H]-	225.112166	151.6
[M]+	204.13695142	147.2
[M]-	204.13804858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.