CID 323221

1-tert-butyltetrazol-5-amine

Structural Information

Molecular Formula
C5H11N5
SMILES
CC(C)(C)N1C(=NN=N1)N
InChI
InChI=1S/C5H11N5/c1-5(2,3)10-4(6)7-8-9-10/h1-3H3,(H2,6,7,9)
InChIKey
FJBIEXNUZHJZSK-UHFFFAOYSA-N
Compound name
1-tert-butyltetrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

141.10144 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.10872 131.7
[M+Na]+ 164.09066 141.5
[M-H]- 140.09416 130.3
[M+NH4]+ 159.13526 149.7
[M+K]+ 180.06460 140.4
[M+H-H2O]+ 124.09870 124.0
[M+HCOO]- 186.09964 151.8
[M+CH3COO]- 200.11529 175.6
[M+Na-2H]- 162.07611 138.7
[M]+ 141.10089 131.0
[M]- 141.10199 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe