CID 145661

Phosphine oxide, bis(1-aziridinyl)ethyl-

Structural Information

Molecular Formula

C₆H₁₃N₂OP

SMILES

CCP(=O)(N1CC1)N2CC2

InChI

InChI=1S/C6H13N2OP/c1-2-10(9,7-3-4-7)8-5-6-8/h2-6H2,1H3

InChIKey

DSCNPZPQMQAITC-UHFFFAOYSA-N

Compound name

1-[aziridin-1-yl(ethyl)phosphoryl]aziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 160.07655 Da
Monoisotopic Mass: -0.2
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]+	161.083826	159.5
[M+Na]+	183.065768	167.3
[M-H]-	159.069274	163.0
[M+NH4]+	178.110373	166.9
[M+K]+	199.039708	165.4
[M+H-H2O]+	143.073810	150.3
[M+HCOO]-	205.074751	181.5
[M+CH3COO]-	219.090401	191.1
[M+Na-2H]-	181.051216	160.5
[M]+	160.07600142	163.6
[M]-	160.07709858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe