CID 482256

Chembl290241

Structural Information

Molecular Formula
C11H14N6O2
SMILES
CC(C)(C)C(=O)OCN1C(=NN=N1)C2=NC=CN=C2
InChI
InChI=1S/C11H14N6O2/c1-11(2,3)10(18)19-7-17-9(14-15-16-17)8-6-12-4-5-13-8/h4-6H,7H2,1-3H3
InChIKey
XBYSYMUGPFLZOR-UHFFFAOYSA-N
Compound name
(5-pyrazin-2-yltetrazol-1-yl)methyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.11783 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12511 161.8
[M+Na]+ 285.10705 170.9
[M-H]- 261.11055 161.3
[M+NH4]+ 280.15165 171.9
[M+K]+ 301.08099 168.1
[M+H-H2O]+ 245.11509 151.2
[M+HCOO]- 307.11603 177.6
[M+CH3COO]- 321.13168 194.5
[M+Na-2H]- 283.09250 167.4
[M]+ 262.11728 164.6
[M]- 262.11838 164.6
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.