CID 15152498

Methyl 1,2,3-triazine-4-carboxylate

Structural Information

Molecular Formula
C5H5N3O2
SMILES
COC(=O)C1=NN=NC=C1
InChI
InChI=1S/C5H5N3O2/c1-10-5(9)4-2-3-6-8-7-4/h2-3H,1H3
InChIKey
BYTPHJAFXFEZLP-UHFFFAOYSA-N
Compound name
methyl triazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

139.03818 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.04546 124.7
[M+Na]+ 162.02740 133.9
[M-H]- 138.03090 124.5
[M+NH4]+ 157.07200 142.1
[M+K]+ 178.00134 133.4
[M+H-H2O]+ 122.03544 116.9
[M+HCOO]- 184.03638 146.2
[M+CH3COO]- 198.05203 170.9
[M+Na-2H]- 160.01285 133.9
[M]+ 139.03763 126.1
[M]- 139.03873 126.1
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

patents stripe