CID 41193

54805-65-1

Structural Information

Molecular Formula
C9H16N3O5P
SMILES
CCOC(=O)N(OC(=O)C)P(=O)(N1CC1)N2CC2
InChI
InChI=1S/C9H16N3O5P/c1-3-16-9(14)12(17-8(2)13)18(15,10-4-5-10)11-6-7-11/h3-7H2,1-2H3
InChIKey
IATZQORMMQOVAJ-UHFFFAOYSA-N
Compound name
[bis(aziridin-1-yl)phosphoryl-ethoxycarbonylamino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.08276 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09004 180.4
[M+Na]+ 300.07198 186.5
[M-H]- 276.07548 185.0
[M+NH4]+ 295.11658 184.0
[M+K]+ 316.04592 184.8
[M+H-H2O]+ 260.08002 171.6
[M+HCOO]- 322.08096 202.2
[M+CH3COO]- 336.09661 209.9
[M+Na-2H]- 298.05743 178.8
[M]+ 277.08221 188.6
[M]- 277.08331 188.6
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.