CID 66123

51-46-7

Structural Information

Molecular Formula
C8H16N4
SMILES
C1CN2CN3CCN(C2)CN1C3
InChI
InChI=1S/C8H16N4/c1-2-10-7-11-3-4-12(8-10)6-9(1)5-11/h1-8H2
InChIKey
YHNNUDUEGSHVGJ-UHFFFAOYSA-N
Compound name
1,3,6,8-tetrazatricyclo[4.4.1.13,8]dodecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

28
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 158.0
[M+Na]+ 191.126718 173.9
[M-H]- 167.130224 162.4
[M+NH4]+ 186.171323 171.1
[M+K]+ 207.100658 160.6
[M+H-H2O]+ 151.134760 158.7
[M+HCOO]- 213.135701 164.8
[M+CH3COO]- 227.151351 165.0
[M+Na-2H]- 189.112166 164.5
[M]+ 168.13695142 158.6
[M]- 168.13804858 158.6
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