CID 45792005

1-[(dimethylcarbamoyl)methyl]-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H10N4O3
SMILES
CN(C)C(=O)CN1C=C(N=N1)C(=O)O
InChI
InChI=1S/C7H10N4O3/c1-10(2)6(12)4-11-3-5(7(13)14)8-9-11/h3H,4H2,1-2H3,(H,13,14)
InChIKey
KPQKNPZQTZXPIY-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.07529 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08257 140.6
[M+Na]+ 221.06451 148.5
[M+NH4]+ 216.10911 140.9
[M+K]+ 237.03845 157.2
[M-H]- 197.06801 148.8
[M+Na-2H]- 219.04996 132.6
[M]+ 198.07474 161.8
[M]- 198.07584 186.0
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.