CID 23907

Aziridine, 1,1'-hexamethylenedicarbonyldi-

Structural Information

Molecular Formula
C12H20N2O2
SMILES
C1CN1C(=O)CCCCCCC(=O)N2CC2
InChI
InChI=1S/C12H20N2O2/c15-11(13-7-8-13)5-3-1-2-4-6-12(16)14-9-10-14/h1-10H2
InChIKey
FDTJSPNZSFTSRX-UHFFFAOYSA-N
Compound name
1,8-bis(aziridin-1-yl)octane-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 172.4
[M+Na]+ 247.14170 178.4
[M-H]- 223.14520 176.2
[M+NH4]+ 242.18630 177.1
[M+K]+ 263.11564 175.1
[M+H-H2O]+ 207.14974 164.3
[M+HCOO]- 269.15068 188.9
[M+CH3COO]- 283.16633 201.1
[M+Na-2H]- 245.12715 172.0
[M]+ 224.15193 177.3
[M]- 224.15303 177.3
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.