CID 87571

18304-79-5

Structural Information

Molecular Formula
C8H16N4
SMILES
C1CN2CN1CN3CCN(C3)C2
InChI
InChI=1S/C8H16N4/c1-2-10-5-9(1)7-11-3-4-12(6-11)8-10/h1-8H2
InChIKey
ZBFHXDNNFOOFLY-UHFFFAOYSA-N
Compound name
1,3,6,8-tetrazatricyclo[6.2.1.13,6]dodecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5
Patents

168.1375 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.144776 161.5
[M+Na]+ 191.126718 166.1
[M-H]- 167.130224 160.1
[M+NH4]+ 186.171323 170.9
[M+K]+ 207.100658 166.2
[M+H-H2O]+ 151.134760 156.4
[M+HCOO]- 213.135701 166.8
[M+CH3COO]- 227.151351 165.0
[M+Na-2H]- 189.112166 160.0
[M]+ 168.13695142 159.5
[M]- 168.13804858 159.5
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