CID 6486001

7-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CC(C)C1=CC(=NC2=NC=NN12)C(=O)O
InChI
InChI=1S/C9H10N4O2/c1-5(2)7-3-6(8(14)15)12-9-10-4-11-13(7)9/h3-5H,1-2H3,(H,14,15)
InChIKey
NCBNAZDSHQXLRS-UHFFFAOYSA-N
Compound name
7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

206.08037 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.087646 143.4
[M+Na]+ 229.069588 154.3
[M-H]- 205.073094 142.5
[M+NH4]+ 224.114193 159.4
[M+K]+ 245.043528 151.5
[M+H-H2O]+ 189.077630 135.4
[M+HCOO]- 251.078571 161.9
[M+CH3COO]- 265.094221 184.4
[M+Na-2H]- 227.055036 148.8
[M]+ 206.07982142 146.2
[M]- 206.08091858 146.2
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

patents stripe