CID 16

1,8-diazacyclotetradecane-2,9-dione

Structural Information

Molecular Formula
C12H22N2O2
SMILES
C1CCC(=O)NCCCCCC(=O)NCC1
InChI
InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)
InChIKey
HERSSAVMHCMYSQ-UHFFFAOYSA-N
Compound name
1,8-diazacyclotetradecane-2,9-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

220
Patents

226.16812 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 154.6
[M+Na]+ 249.15734 156.6
[M-H]- 225.16084 149.6
[M+NH4]+ 244.20194 165.1
[M+K]+ 265.13128 154.0
[M+H-H2O]+ 209.16538 150.3
[M+HCOO]- 271.16632 165.3
[M+CH3COO]- 285.18197 175.4
[M+Na-2H]- 247.14279 154.7
[M]+ 226.16757 139.7
[M]- 226.16867 139.7
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