CID 3069938

85508-57-2

Structural Information

Molecular Formula
C8H16N4
SMILES
CCCC(CCC)C1=NNN=N1
InChI
InChI=1S/C8H16N4/c1-3-5-7(6-4-2)8-9-11-12-10-8/h7H,3-6H2,1-2H3,(H,9,10,11,12)
InChIKey
OYQZMQLGNFRLLJ-UHFFFAOYSA-N
Compound name
5-heptan-4-yl-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.1375 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.14478 140.1
[M+Na]+ 191.12672 147.2
[M-H]- 167.13022 136.5
[M+NH4]+ 186.17132 156.2
[M+K]+ 207.10066 145.1
[M+H-H2O]+ 151.13476 131.3
[M+HCOO]- 213.13570 157.8
[M+CH3COO]- 227.15135 177.9
[M+Na-2H]- 189.11217 144.4
[M]+ 168.13695 139.8
[M]- 168.13805 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe