CID 64963

Cyclen

Structural Information

Molecular Formula
C8H20N4
SMILES
C1CNCCNCCNCCN1
InChI
InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
InChIKey
QBPPRVHXOZRESW-UHFFFAOYSA-N
Compound name
1,4,7,10-tetrazacyclododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

403
References

13637
Patents

172.1688 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.17608 141.9
[M+Na]+ 195.15802 149.0
[M+NH4]+ 190.20262 146.6
[M+K]+ 211.13196 144.3
[M-H]- 171.16152 139.8
[M+Na-2H]- 193.14347 144.8
[M]+ 172.16825 141.4
[M]- 172.16935 141.4
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