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 150.1
[M+Na]+ 243.08524 161.3
[M-H]- 219.08874 149.3
[M+NH4]+ 238.12984 165.8
[M+K]+ 259.05918 158.2
[M+H-H2O]+ 203.09328 142.6
[M+HCOO]- 265.09422 167.5
[M+CH3COO]- 279.10987 186.2
[M+Na-2H]- 241.07069 156.8
[M]+ 220.09547 153.2
[M]- 220.09657 153.2
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.