CID 138987535

Tert-butyl 5-cyano-1-{[2-(trimethylsilyl)ethoxy]methyl}-1h-1,2,3-triazole-4-carboxylate

Structural Information

Molecular Formula
C14H24N4O3Si
SMILES
CC(C)(C)OC(=O)C1=C(N(N=N1)COCC[Si](C)(C)C)C#N
InChI
InChI=1S/C14H24N4O3Si/c1-14(2,3)21-13(19)12-11(9-15)18(17-16-12)10-20-7-8-22(4,5)6/h7-8,10H2,1-6H3
InChIKey
SUCXCDNLTSUFAV-UHFFFAOYSA-N
Compound name
tert-butyl 5-cyano-1-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16177 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16905 174.4
[M+Na]+ 347.15099 182.0
[M-H]- 323.15449 173.2
[M+NH4]+ 342.19559 185.5
[M+K]+ 363.12493 181.5
[M+H-H2O]+ 307.15903 159.4
[M+HCOO]- 369.15997 186.9
[M+CH3COO]- 383.17562 216.2
[M+Na-2H]- 345.13644 176.0
[M]+ 324.16122 174.8
[M]- 324.16232 174.8
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.