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 145.8
[M+Na]+ 205.14237 153.2
[M-H]- 181.14587 142.3
[M+NH4]+ 200.18697 161.5
[M+K]+ 221.11631 150.7
[M+H-H2O]+ 165.15041 137.5
[M+HCOO]- 227.15135 162.6
[M+CH3COO]- 241.16700 180.4
[M+Na-2H]- 203.12782 151.4
[M]+ 182.15260 146.0
[M]- 182.15370 146.0
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.