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 131.4
[M+Na]+ 192.03796 142.1
[M-H]- 168.04146 131.9
[M+NH4]+ 187.08256 149.9
[M+K]+ 208.01190 141.6
[M+H-H2O]+ 152.04600 124.1
[M+HCOO]- 214.04694 153.8
[M+CH3COO]- 228.06259 177.4
[M+Na-2H]- 190.02341 136.1
[M]+ 169.04819 135.4
[M]- 169.04929 135.4
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.