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

41
Patents

139.03818 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.045456 124.7
[M+Na]+ 162.027398 133.9
[M-H]- 138.030904 124.5
[M+NH4]+ 157.072003 142.1
[M+K]+ 178.001338 133.4
[M+H-H2O]+ 122.035440 116.9
[M+HCOO]- 184.036381 146.2
[M+CH3COO]- 198.052031 170.9
[M+Na-2H]- 160.012846 133.9
[M]+ 139.03763142 126.1
[M]- 139.03872858 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