CID 6497231

883546-40-5

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₂

SMILES

CC(C)(C)C1=CC(=NC2=NC=NN12)C(=O)O

InChI

InChI=1S/C10H12N4O2/c1-10(2,3)7-4-6(8(15)16)13-9-11-5-12-14(7)9/h4-5H,1-3H3,(H,15,16)

InChIKey

PRAOSNPWIAYNEB-UHFFFAOYSA-N

Compound name

7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 220.09602 Da
Monoisotopic Mass: 1.7
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]+	221.103296	150.1
[M+Na]+	243.085238	161.3
[M-H]-	219.088744	149.3
[M+NH4]+	238.129843	165.8
[M+K]+	259.059178	158.2
[M+H-H2O]+	203.093280	142.6
[M+HCOO]-	265.094221	167.5
[M+CH3COO]-	279.109871	186.2
[M+Na-2H]-	241.070686	156.8
[M]+	220.09547142	153.2
[M]-	220.09656858	153.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.