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

69
Patents

153.05383 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 129.2
[M+Na]+ 176.04305 138.1
[M-H]- 152.04655 128.9
[M+NH4]+ 171.08765 146.1
[M+K]+ 192.01699 137.3
[M+H-H2O]+ 136.05109 121.2
[M+HCOO]- 198.05203 150.5
[M+CH3COO]- 212.06768 173.9
[M+Na-2H]- 174.02850 138.0
[M]+ 153.05328 131.0
[M]- 153.05438 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