CID 74889139

1231934-39-6

Structural Information

Molecular Formula

C₇H₈BN₃O₂

SMILES

B(C1=CN2C(=NN=C2C=C1)C)(O)O

InChI

InChI=1S/C7H8BN3O2/c1-5-9-10-7-3-2-6(8(12)13)4-11(5)7/h2-4,12-13H,1H3

InChIKey

FKLWIBNFXSLOBQ-UHFFFAOYSA-N

Compound name

(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 177.07095 Da
Monoisotopic Mass: None
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]+	178.07823	134.3
[M+Na]+	200.06017	147.0
[M+NH4]+	195.10477	141.2
[M+K]+	216.03411	144.4
[M-H]-	176.06367	133.4
[M+Na-2H]-	198.04562	139.4
[M]+	177.07040	135.6
[M]-	177.07150	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe