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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 147.6
[M+Na]+ 243.08524 159.8
[M+NH4]+ 238.12984 153.2
[M+K]+ 259.05918 158.0
[M-H]- 219.08874 145.5
[M+Na-2H]- 241.07069 152.2
[M]+ 220.09547 148.5
[M]- 220.09657 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.