CID 63355803

1341283-98-4

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CCOC(=O)C1=NN=C2N1C=NC(=C2)C
InChI
InChI=1S/C9H10N4O2/c1-3-15-9(14)8-12-11-7-4-6(2)10-5-13(7)8/h4-5H,3H2,1-2H3
InChIKey
HXRVADCJFMKTOQ-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08037 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 143.0
[M+Na]+ 229.06959 154.7
[M-H]- 205.07309 143.3
[M+NH4]+ 224.11419 159.9
[M+K]+ 245.04353 152.2
[M+H-H2O]+ 189.07763 134.6
[M+HCOO]- 251.07857 163.9
[M+CH3COO]- 265.09422 185.4
[M+Na-2H]- 227.05504 149.9
[M]+ 206.07982 148.1
[M]- 206.08092 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.