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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.