CID 41191

54805-59-3

Structural Information

Molecular Formula
C13H24N3O5P
SMILES
CCOC(=O)N(OC(=O)C)P(=O)(N1CC1(C)C)N2CC2(C)C
InChI
InChI=1S/C13H24N3O5P/c1-7-20-11(18)16(21-10(2)17)22(19,14-8-12(14,3)4)15-9-13(15,5)6/h7-9H2,1-6H3
InChIKey
FKGLMTGUMNVSTC-UHFFFAOYSA-N
Compound name
[bis(2,2-dimethylaziridin-1-yl)phosphoryl-ethoxycarbonylamino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.14536 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15264 192.0
[M+Na]+ 356.13458 198.8
[M-H]- 332.13808 197.0
[M+NH4]+ 351.17918 197.5
[M+K]+ 372.10852 199.5
[M+H-H2O]+ 316.14262 186.8
[M+HCOO]- 378.14356 211.1
[M+CH3COO]- 392.15921 221.0
[M+Na-2H]- 354.12003 190.5
[M]+ 333.14481 203.5
[M]- 333.14591 203.5
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.