CID 162341133

2248351-28-0

Structural Information

Molecular Formula
C6H7N3O3
SMILES
CN1C(=C(N=N1)C(=O)OC)C=O
InChI
InChI=1S/C6H7N3O3/c1-9-4(3-10)5(7-8-9)6(11)12-2/h3H,1-2H3
InChIKey
KCDJUZFUSFPGJO-UHFFFAOYSA-N
Compound name
methyl 5-formyl-1-methyltriazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04874 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 134.1
[M+Na]+ 192.03796 145.0
[M+NH4]+ 187.08256 139.5
[M+K]+ 208.01190 143.3
[M-H]- 168.04146 131.9
[M+Na-2H]- 190.02341 137.8
[M]+ 169.04819 134.6
[M]- 169.04929 134.6
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.