CID 101407

Methyl(aziridinyl)phosphine oxide

Structural Information

Molecular Formula

C₅H₁₁N₂OP

SMILES

CP(=O)(N1CC1)N2CC2

InChI

InChI=1S/C5H11N2OP/c1-9(8,6-2-3-6)7-4-5-7/h2-5H2,1H3

InChIKey

LBFVGZNJQVVCBQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 146.0609 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]+	147.06818	155.9
[M+Na]+	169.05012	164.1
[M-H]-	145.05362	159.6
[M+NH4]+	164.09472	163.8
[M+K]+	185.02406	162.4
[M+H-H2O]+	129.05816	146.9
[M+HCOO]-	191.05910	178.2
[M+CH3COO]-	205.07475	188.6
[M+Na-2H]-	167.03557	157.4
[M]+	146.06035	159.7
[M]-	146.06145	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe