CID 379527

Nsc664189

Structural Information

Molecular Formula
C11H18N4O5
SMILES
C1CN1C(=O)NCCOC(=O)OCCNC(=O)N2CC2
InChI
InChI=1S/C11H18N4O5/c16-9(14-3-4-14)12-1-7-19-11(18)20-8-2-13-10(17)15-5-6-15/h1-8H2,(H,12,16)(H,13,17)
InChIKey
HRTWOWOZWGUBGC-UHFFFAOYSA-N
Compound name
bis[2-(aziridine-1-carbonylamino)ethyl] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.12772 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13500 179.9
[M+Na]+ 309.11694 184.9
[M-H]- 285.12044 184.0
[M+NH4]+ 304.16154 182.0
[M+K]+ 325.09088 181.3
[M+H-H2O]+ 269.12498 172.5
[M+HCOO]- 331.12592 198.2
[M+CH3COO]- 345.14157 210.1
[M+Na-2H]- 307.10239 180.0
[M]+ 286.12717 186.0
[M]- 286.12827 186.0
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.