CID 21990

Brn 0003584

Structural Information

Molecular Formula
C10H20N4
SMILES
C1CCN2CN3CCCCN3CN2C1
InChI
InChI=1S/C10H20N4/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H2
InChIKey
SUZLLEFPVPNRQM-UHFFFAOYSA-N
Compound name
1,3,8,10-tetrazatricyclo[8.4.0.03,8]tetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.1688 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.17608 148.7
[M+Na]+ 219.15802 152.1
[M-H]- 195.16152 145.9
[M+NH4]+ 214.20262 163.7
[M+K]+ 235.13196 149.0
[M+H-H2O]+ 179.16606 138.1
[M+HCOO]- 241.16700 156.8
[M+CH3COO]- 255.18265 156.9
[M+Na-2H]- 217.14347 154.0
[M]+ 196.16825 138.6
[M]- 196.16935 138.6
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.