CID 122155747

Ethyl 2-tert-butyl-2h-1,2,3,4-tetrazole-5-carboxylate

Structural Information

Molecular Formula
C8H14N4O2
SMILES
CCOC(=O)C1=NN(N=N1)C(C)(C)C
InChI
InChI=1S/C8H14N4O2/c1-5-14-7(13)6-9-11-12(10-6)8(2,3)4/h5H2,1-4H3
InChIKey
YLSMFHPOPAQWDT-UHFFFAOYSA-N
Compound name
ethyl 2-tert-butyltetrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11168 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11896 145.3
[M+Na]+ 221.10090 154.6
[M-H]- 197.10440 144.2
[M+NH4]+ 216.14550 161.4
[M+K]+ 237.07484 154.0
[M+H-H2O]+ 181.10894 137.5
[M+HCOO]- 243.10988 163.7
[M+CH3COO]- 257.12553 183.7
[M+Na-2H]- 219.08635 150.3
[M]+ 198.11113 148.8
[M]- 198.11223 148.8
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.