CID 120258

Diethylenimidomethylphophate

Structural Information

Molecular Formula
C5H11N2O2P
SMILES
COP(=O)(N1CC1)N2CC2
InChI
InChI=1S/C5H11N2O2P/c1-9-10(8,6-2-3-6)7-4-5-7/h2-5H2,1H3
InChIKey
KVUACIWPUWVZGT-UHFFFAOYSA-N
Compound name
1-[aziridin-1-yl(methoxy)phosphoryl]aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

162.05582 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06310 159.4
[M+Na]+ 185.04504 167.6
[M-H]- 161.04854 163.1
[M+NH4]+ 180.08964 166.7
[M+K]+ 201.01898 165.9
[M+H-H2O]+ 145.05308 150.4
[M+HCOO]- 207.05402 181.8
[M+CH3COO]- 221.06967 190.3
[M+Na-2H]- 183.03049 160.9
[M]+ 162.05527 164.5
[M]- 162.05637 164.5
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

patents stripe