CID 130116266

Methyl 3-chloro-1,2,4-triazine-6-carboxylate

Structural Information

Molecular Formula
C5H4ClN3O2
SMILES
COC(=O)C1=CN=C(N=N1)Cl
InChI
InChI=1S/C5H4ClN3O2/c1-11-4(10)3-2-7-5(6)9-8-3/h2H,1H3
InChIKey
LIDAKXNNFNPUKL-UHFFFAOYSA-N
Compound name
methyl 3-chloro-1,2,4-triazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.9992 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.006476 128.5
[M+Na]+ 195.988418 139.3
[M-H]- 171.991924 128.5
[M+NH4]+ 191.033023 145.7
[M+K]+ 211.962358 137.1
[M+H-H2O]+ 155.996460 121.4
[M+HCOO]- 217.997401 145.4
[M+CH3COO]- 232.013051 175.9
[M+Na-2H]- 193.973866 136.7
[M]+ 172.99865142 132.1
[M]- 172.99974858 132.1
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.