CID 23268967

Methyl 1-(2-hydroxyethyl)-1h-1,2,3-triazole-4-carboxylate

Structural Information

Molecular Formula
C6H9N3O3
SMILES
COC(=O)C1=CN(N=N1)CCO
InChI
InChI=1S/C6H9N3O3/c1-12-6(11)5-4-9(2-3-10)8-7-5/h4,10H,2-3H2,1H3
InChIKey
BZIFXELNIDCOLM-UHFFFAOYSA-N
Compound name
methyl 1-(2-hydroxyethyl)triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

171.06439 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.071666 133.9
[M+Na]+ 194.053608 142.9
[M-H]- 170.057114 132.5
[M+NH4]+ 189.098213 151.3
[M+K]+ 210.027548 142.2
[M+H-H2O]+ 154.061650 126.4
[M+HCOO]- 216.062591 154.5
[M+CH3COO]- 230.078241 174.5
[M+Na-2H]- 192.039056 138.7
[M]+ 171.06384142 136.2
[M]- 171.06493858 136.2
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

patents stripe