CID 3070746

5-(1-ethyl-1-methylpentyl)-5h-tetrazole

Structural Information

Molecular Formula
C9H18N4
SMILES
CCCCC(C)(CC)C1=NNN=N1
InChI
InChI=1S/C9H18N4/c1-4-6-7-9(3,5-2)8-10-12-13-11-8/h4-7H2,1-3H3,(H,10,11,12,13)
InChIKey
PPOKGFJQUSVGMW-UHFFFAOYSA-N
Compound name
5-(3-methylheptan-3-yl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.15315 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.16043 143.6
[M+Na]+ 205.14237 153.6
[M+NH4]+ 200.18697 149.5
[M+K]+ 221.11631 150.5
[M-H]- 181.14587 141.4
[M+Na-2H]- 203.12782 147.9
[M]+ 182.15260 144.1
[M]- 182.15370 144.1
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.