CID 3070747

86842-39-9

Structural Information

Molecular Formula
C11H22N4
SMILES
CCCC(CCC)(CCC)C1=NNN=N1
InChI
InChI=1S/C11H22N4/c1-4-7-11(8-5-2,9-6-3)10-12-14-15-13-10/h4-9H2,1-3H3,(H,12,13,14,15)
InChIKey
DRSVCBLVASLXNI-UHFFFAOYSA-N
Compound name
5-(4-propylheptan-4-yl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.18445 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.19173 154.6
[M+Na]+ 233.17367 161.1
[M-H]- 209.17717 150.8
[M+NH4]+ 228.21827 169.2
[M+K]+ 249.14761 158.1
[M+H-H2O]+ 193.18171 145.9
[M+HCOO]- 255.18265 170.7
[M+CH3COO]- 269.19830 186.4
[M+Na-2H]- 231.15912 159.1
[M]+ 210.18390 155.5
[M]- 210.18500 155.5
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.