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]+ 199.118956 145.3
[M+Na]+ 221.100898 154.6
[M-H]- 197.104404 144.2
[M+NH4]+ 216.145503 161.4
[M+K]+ 237.074838 154.0
[M+H-H2O]+ 181.108940 137.5
[M+HCOO]- 243.109881 163.7
[M+CH3COO]- 257.125531 183.7
[M+Na-2H]- 219.086346 150.3
[M]+ 198.11113142 148.8
[M]- 198.11222858 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.