CID 66263582

2470280-02-3

Structural Information

Molecular Formula
C7H11N3O3
SMILES
CCOC(=O)C1=NNC(=N1)[C@H](C)O
InChI
InChI=1S/C7H11N3O3/c1-3-13-7(12)6-8-5(4(2)11)9-10-6/h4,11H,3H2,1-2H3,(H,8,9,10)/t4-/m0/s1
InChIKey
PEHOOILBFVEUEV-BYPYZUCNSA-N
Compound name
ethyl 5-[(1S)-1-hydroxyethyl]-1H-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.087326 139.5
[M+Na]+ 208.069268 147.4
[M-H]- 184.072774 136.8
[M+NH4]+ 203.113873 155.6
[M+K]+ 224.043208 146.1
[M+H-H2O]+ 168.077310 132.2
[M+HCOO]- 230.078251 157.4
[M+CH3COO]- 244.093901 175.9
[M+Na-2H]- 206.054716 142.1
[M]+ 185.07950142 139.7
[M]- 185.08059858 139.7
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.