CID 17750

1,1'-sebacoylbisaziridine

Structural Information

Molecular Formula
C14H24N2O2
SMILES
C1CN1C(=O)CCCCCCCCC(=O)N2CC2
InChI
InChI=1S/C14H24N2O2/c17-13(15-9-10-15)7-5-3-1-2-4-6-8-14(18)16-11-12-16/h1-12H2
InChIKey
ZZGUAVHBALZHBW-UHFFFAOYSA-N
Compound name
1,10-bis(aziridin-1-yl)decane-1,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

252.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19106 179.1
[M+Na]+ 275.17300 184.4
[M-H]- 251.17650 182.7
[M+NH4]+ 270.21760 182.9
[M+K]+ 291.14694 180.7
[M+H-H2O]+ 235.18104 170.8
[M+HCOO]- 297.18198 195.1
[M+CH3COO]- 311.19763 206.0
[M+Na-2H]- 273.15845 177.9
[M]+ 252.18323 184.7
[M]- 252.18433 184.7
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

patents stripe