CID 63382294

1339073-44-7

Structural Information

Molecular Formula
C9H15N3O3
SMILES
CCOC(=O)C1=NN(C(=N1)C(C)(C)O)C
InChI
InChI=1S/C9H15N3O3/c1-5-15-7(13)6-10-8(9(2,3)14)12(4)11-6/h14H,5H2,1-4H3
InChIKey
MCKLUZIYZRVPLJ-UHFFFAOYSA-N
Compound name
ethyl 5-(2-hydroxypropan-2-yl)-1-methyl-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.11134 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.11862 147.7
[M+Na]+ 236.10056 157.0
[M+NH4]+ 231.14516 152.3
[M+K]+ 252.07450 156.4
[M-H]- 212.10406 144.5
[M+Na-2H]- 234.08601 150.1
[M]+ 213.11079 147.7
[M]- 213.11189 147.7
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.