CID 119485

4-methylcyclophosphamide

Structural Information

Molecular Formula

C₈H₁₇Cl₂N₂O₂P

SMILES

CC1CCOP(=O)(N1)N(CCCl)CCCl

InChI

InChI=1S/C8H17Cl2N2O2P/c1-8-2-7-14-15(13,11-8)12(5-3-9)6-4-10/h8H,2-7H2,1H3,(H,11,13)

InChIKey

WVOVAJAOADLLIN-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-4-methyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 96
Patents: 274.04047 Da
Monoisotopic Mass: 1.2
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]+	275.04775	156.2
[M+Na]+	297.02969	166.2
[M+NH4]+	292.07429	164.5
[M+K]+	313.00363	158.8
[M-H]-	273.03319	157.6
[M+Na-2H]-	295.01514	160.4
[M]+	274.03992	158.4
[M]-	274.04102	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe