CID 99735

4-hydroxycyclophosphamide

Structural Information

Molecular Formula

C₇H₁₅Cl₂N₂O₃P

SMILES

C1COP(=O)(NC1O)N(CCCl)CCCl

InChI

InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13)

InChIKey

RANONBLIHMVXAJ-UHFFFAOYSA-N

Compound name

2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 179
References: 1274
Patents: 276.01974 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]+	277.02702	153.6
[M+Na]+	299.00896	159.8
[M-H]-	275.01246	153.0
[M+NH4]+	294.05356	169.9
[M+K]+	314.98290	157.1
[M+H-H2O]+	259.01700	147.4
[M+HCOO]-	321.01794	167.3
[M+CH3COO]-	335.03359	193.6
[M+Na-2H]-	296.99441	155.5
[M]+	276.01919	155.0
[M]-	276.02029	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe