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]+ 141.11348 132.5
[M+Na]+ 163.09542 141.2
[M-H]- 139.09892 129.5
[M+NH4]+ 158.14002 149.9
[M+K]+ 179.06936 139.5
[M+H-H2O]+ 123.10346 124.8
[M+HCOO]- 185.10440 150.2
[M+CH3COO]- 199.12005 171.4
[M+Na-2H]- 161.08087 139.6
[M]+ 140.10565 131.6
[M]- 140.10675 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