CID 11367424

2-[4-(methoxycarbonyl)-1h-1,2,3-triazol-1-yl]acetic acid

Structural Information

Molecular Formula
C6H7N3O4
SMILES
COC(=O)C1=CN(N=N1)CC(=O)O
InChI
InChI=1S/C6H7N3O4/c1-13-6(12)4-2-9(8-7-4)3-5(10)11/h2H,3H2,1H3,(H,10,11)
InChIKey
PQBFKMPNIQZTFU-UHFFFAOYSA-N
Compound name
2-(4-methoxycarbonyltriazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.04366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05094 137.4
[M+Na]+ 208.03288 146.4
[M+NH4]+ 203.07748 141.7
[M+K]+ 224.00682 146.3
[M-H]- 184.03638 133.8
[M+Na-2H]- 206.01833 139.9
[M]+ 185.04311 137.0
[M]- 185.04421 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.