CID 3070746

86842-37-7

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]+ 183.160426 145.8
[M+Na]+ 205.142368 153.2
[M-H]- 181.145874 142.3
[M+NH4]+ 200.186973 161.5
[M+K]+ 221.116308 150.7
[M+H-H2O]+ 165.150410 137.5
[M+HCOO]- 227.151351 162.6
[M+CH3COO]- 241.167001 180.4
[M+Na-2H]- 203.127816 151.4
[M]+ 182.15260142 146.0
[M]- 182.15369858 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.