CID 125514784

2089255-06-9

Structural Information

Molecular Formula
C6H10N4O3
SMILES
CCOCN1C(=C(N=N1)C(=O)O)N
InChI
InChI=1S/C6H10N4O3/c1-2-13-3-10-5(7)4(6(11)12)8-9-10/h2-3,7H2,1H3,(H,11,12)
InChIKey
NXHOCXMQYORNGR-UHFFFAOYSA-N
Compound name
5-amino-1-(ethoxymethyl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.07529 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08257 137.5
[M+Na]+ 209.06451 146.4
[M-H]- 185.06801 136.1
[M+NH4]+ 204.10911 154.0
[M+K]+ 225.03845 145.3
[M+H-H2O]+ 169.07255 129.9
[M+HCOO]- 231.07349 158.6
[M+CH3COO]- 245.08914 180.8
[M+Na-2H]- 207.04996 141.1
[M]+ 186.07474 138.6
[M]- 186.07584 138.6
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.