CID 196413

Dioxocyclam

Structural Information

Molecular Formula
C10H20N4O2
SMILES
C1CNCCNC(=O)CC(=O)NCCNC1
InChI
InChI=1S/C10H20N4O2/c15-9-8-10(16)14-7-5-12-3-1-2-11-4-6-13-9/h11-12H,1-8H2,(H,13,15)(H,14,16)
InChIKey
BGVLBVASHIQNIO-UHFFFAOYSA-N
Compound name
1,4,8,11-tetrazacyclotetradecane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

460
Patents

228.15863 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16591 157.7
[M+Na]+ 251.14785 159.8
[M-H]- 227.15135 147.6
[M+NH4]+ 246.19245 163.9
[M+K]+ 267.12179 155.6
[M+H-H2O]+ 211.15589 152.2
[M+HCOO]- 273.15683 163.4
[M+CH3COO]- 287.17248 170.9
[M+Na-2H]- 249.13330 157.6
[M]+ 228.15808 139.6
[M]- 228.15918 139.6
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