CID 132353852

5-formyl-1-methyl-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H5N3O3
SMILES
CN1C(=C(N=N1)C(=O)O)C=O
InChI
InChI=1S/C5H5N3O3/c1-8-3(2-9)4(5(10)11)6-7-8/h2H,1H3,(H,10,11)
InChIKey
XPNPNOFFLZDBAC-UHFFFAOYSA-N
Compound name
5-formyl-1-methyltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.0331 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04038 130.2
[M+Na]+ 178.02232 140.6
[M+NH4]+ 173.06692 135.3
[M+K]+ 193.99626 139.5
[M-H]- 154.02582 127.4
[M+Na-2H]- 176.00777 133.5
[M]+ 155.03255 130.4
[M]- 155.03365 130.4
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.