CID 120259

469-35-2

Structural Information

Molecular Formula

C₆H₁₃N₂O₂P

SMILES

CCOP(=O)(N1CC1)N2CC2

InChI

InChI=1S/C6H13N2O2P/c1-2-10-11(9,7-3-4-7)8-5-6-8/h2-6H2,1H3

InChIKey

ZBAYJMQMDRWCCT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 176.07147 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]+	177.07875	163.0
[M+Na]+	199.06069	170.8
[M-H]-	175.06419	166.5
[M+NH4]+	194.10529	169.8
[M+K]+	215.03463	168.9
[M+H-H2O]+	159.06873	153.8
[M+HCOO]-	221.06967	185.1
[M+CH3COO]-	235.08532	192.8
[M+Na-2H]-	197.04614	164.0
[M]+	176.07092	168.3
[M]-	176.07202	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe