CID 142771

Diethylenimidopropylphosphate

Structural Information

Molecular Formula

C₇H₁₅N₂O₂P

SMILES

CCCOP(=O)(N1CC1)N2CC2

InChI

InChI=1S/C7H15N2O2P/c1-2-7-11-12(10,8-3-4-8)9-5-6-9/h2-7H2,1H3

InChIKey

WYZVSGJWAIWLIC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 190.08711 Da
Monoisotopic Mass: 0.3
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]+	191.09439	166.5
[M+Na]+	213.07633	174.0
[M-H]-	189.07983	169.9
[M+NH4]+	208.12093	172.9
[M+K]+	229.05027	171.9
[M+H-H2O]+	173.08437	157.3
[M+HCOO]-	235.08531	188.4
[M+CH3COO]-	249.10096	195.3
[M+Na-2H]-	211.06178	167.2
[M]+	190.08656	172.2
[M]-	190.08766	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe