CID 200629

Brn 1322254

Structural Information

Molecular Formula
C10H22N2O4P2
SMILES
CCOP(=O)(CCP(=O)(N1CC1)N2CC2)OCC
InChI
InChI=1S/C10H22N2O4P2/c1-3-15-18(14,16-4-2)10-9-17(13,11-5-6-11)12-7-8-12/h3-10H2,1-2H3
InChIKey
IKTUKFDIICKEIL-UHFFFAOYSA-N
Compound name
1-[aziridin-1-yl(2-diethoxyphosphorylethyl)phosphoryl]aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10547 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11275 191.6
[M+Na]+ 319.09469 197.4
[M-H]- 295.09819 193.5
[M+NH4]+ 314.13929 194.7
[M+K]+ 335.06863 195.0
[M+H-H2O]+ 279.10273 180.6
[M+HCOO]- 341.10367 215.5
[M+CH3COO]- 355.11932 211.7
[M+Na-2H]- 317.08014 189.7
[M]+ 296.10492 200.5
[M]- 296.10602 200.5
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.