CID 31515

Carboxyphosphamide

Structural Information

Molecular Formula

C₇H₁₅Cl₂N₂O₄P

SMILES

C(COP(=O)(N)N(CCCl)CCCl)C(=O)O

InChI

InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(10,14)15-6-1-7(12)13/h1-6H2,(H2,10,14)(H,12,13)

InChIKey

QLAKAJLYYGOZQL-UHFFFAOYSA-N

Compound name

3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 136
Patents: 292.01465 Da
Monoisotopic Mass: -0.4
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]+	293.02193	159.6
[M+Na]+	315.00387	165.8
[M+NH4]+	310.04847	164.0
[M+K]+	330.97781	163.0
[M-H]-	291.00737	156.2
[M+Na-2H]-	312.98932	159.7
[M]+	292.01410	159.4
[M]-	292.01520	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe