CID 3070745

5-(1,1-dimethylpropyl)-5h-tetrazole

Structural Information

Molecular Formula
C6H12N4
SMILES
CCC(C)(C)C1=NNN=N1
InChI
InChI=1S/C6H12N4/c1-4-6(2,3)5-7-9-10-8-5/h4H2,1-3H3,(H,7,8,9,10)
InChIKey
FGCGZUFQSOYAJG-UHFFFAOYSA-N
Compound name
5-(2-methylbutan-2-yl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

140.1062 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.113476 132.5
[M+Na]+ 163.095418 141.2
[M-H]- 139.098924 129.5
[M+NH4]+ 158.140023 149.9
[M+K]+ 179.069358 139.5
[M+H-H2O]+ 123.103460 124.8
[M+HCOO]- 185.104401 150.2
[M+CH3COO]- 199.120051 171.4
[M+Na-2H]- 161.080866 139.6
[M]+ 140.10565142 131.6
[M]- 140.10674858 131.6
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

patents stripe