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]+ 207.087646 143.0
[M+Na]+ 229.069588 154.7
[M-H]- 205.073094 143.3
[M+NH4]+ 224.114193 159.9
[M+K]+ 245.043528 152.2
[M+H-H2O]+ 189.077630 134.6
[M+HCOO]- 251.078571 163.9
[M+CH3COO]- 265.094221 185.4
[M+Na-2H]- 227.055036 149.9
[M]+ 206.07982142 148.1
[M]- 206.08091858 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.