CID 6506398

N-(bis(1-aziridinyl)phosphinyl)acetimidic acid ethyl ester

Structural Information

Molecular Formula
C8H16N3O2P
SMILES
CCO/C(=N\P(=O)(N1CC1)N2CC2)/C
InChI
InChI=1S/C8H16N3O2P/c1-3-13-8(2)9-14(12,10-4-5-10)11-6-7-11/h3-7H2,1-2H3/b9-8-
InChIKey
IFYAILPKTCOXRD-HJWRWDBZSA-N
Compound name
ethyl (1Z)-N-[bis(aziridin-1-yl)phosphoryl]ethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.098 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10528 171.6
[M+Na]+ 240.08722 178.4
[M-H]- 216.09072 176.1
[M+NH4]+ 235.13182 177.4
[M+K]+ 256.06116 176.3
[M+H-H2O]+ 200.09526 162.2
[M+HCOO]- 262.09620 194.7
[M+CH3COO]- 276.11185 202.7
[M+Na-2H]- 238.07267 171.6
[M]+ 217.09745 177.3
[M]- 217.09855 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.