CID 66290402

1505149-43-8

Structural Information

Molecular Formula
C7H10N4O3
SMILES
CN(C)C(=O)C1=CN(N=N1)CC(=O)O
InChI
InChI=1S/C7H10N4O3/c1-10(2)7(14)5-3-11(9-8-5)4-6(12)13/h3H,4H2,1-2H3,(H,12,13)
InChIKey
GYVREGHQUXPYLN-UHFFFAOYSA-N
Compound name
2-[4-(dimethylcarbamoyl)triazol-1-yl]acetic 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-H]- 197.06801 140.9
[M+NH4]+ 216.10911 157.2
[M+K]+ 237.03845 148.8
[M+H-H2O]+ 181.07255 132.6
[M+HCOO]- 243.07349 161.8
[M+CH3COO]- 257.08914 186.0
[M+Na-2H]- 219.04996 143.7
[M]+ 198.07474 142.6
[M]- 198.07584 142.6
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.