CID 118545161

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

Structural Information

Molecular Formula
C5H6N4O2
SMILES
COC(=O)C1=CN=C(N=N1)N
InChI
InChI=1S/C5H6N4O2/c1-11-4(10)3-2-7-5(6)9-8-3/h2H,1H3,(H2,6,7,9)
InChIKey
LPJKZSSKTWTNTM-UHFFFAOYSA-N
Compound name
methyl 3-amino-1,2,4-triazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

154.04907 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05635 129.4
[M+Na]+ 177.03829 138.7
[M-H]- 153.04179 129.2
[M+NH4]+ 172.08289 145.9
[M+K]+ 193.01223 137.7
[M+H-H2O]+ 137.04633 121.5
[M+HCOO]- 199.04727 151.4
[M+CH3COO]- 213.06292 176.2
[M+Na-2H]- 175.02374 137.2
[M]+ 154.04852 129.5
[M]- 154.04962 129.5
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