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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.063096	159.4
[M+Na]+	185.045038	167.6
[M-H]-	161.048544	163.1
[M+NH4]+	180.089643	166.7
[M+K]+	201.018978	165.9
[M+H-H2O]+	145.053080	150.4
[M+HCOO]-	207.054021	181.8
[M+CH3COO]-	221.069671	190.3
[M+Na-2H]-	183.030486	160.9
[M]+	162.05527142	164.5
[M]-	162.05636858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe