CID 12559180

Ethyl [1,2,4]triazine-3-carboxylate

Structural Information

Molecular Formula
C6H7N3O2
SMILES
CCOC(=O)C1=NC=CN=N1
InChI
InChI=1S/C6H7N3O2/c1-2-11-6(10)5-7-3-4-8-9-5/h3-4H,2H2,1H3
InChIKey
BSPOWIFCNQWLIQ-UHFFFAOYSA-N
Compound name
ethyl 1,2,4-triazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

153.05383 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 129.2
[M+Na]+ 176.043048 138.1
[M-H]- 152.046554 128.9
[M+NH4]+ 171.087653 146.1
[M+K]+ 192.016988 137.3
[M+H-H2O]+ 136.051090 121.2
[M+HCOO]- 198.052031 150.5
[M+CH3COO]- 212.067681 173.9
[M+Na-2H]- 174.028496 138.0
[M]+ 153.05328142 131.0
[M]- 153.05437858 131.0
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

patents stripe