CID 100460

N,n-diethylcyclophosphamide

Structural Information

Molecular Formula

C₇H₁₇N₂O₂P

SMILES

CCN(CC)P1(=O)NCCCO1

InChI

InChI=1S/C7H17N2O2P/c1-3-9(4-2)12(10)8-6-5-7-11-12/h3-7H2,1-2H3,(H,8,10)

InChIKey

YYBAUAVEKFNTLT-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 5
Patents: 192.10277 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]+	193.11005	144.5
[M+Na]+	215.09199	149.0
[M-H]-	191.09549	145.3
[M+NH4]+	210.13659	163.2
[M+K]+	231.06593	150.2
[M+H-H2O]+	175.10003	136.0
[M+HCOO]-	237.10097	168.8
[M+CH3COO]-	251.11662	184.4
[M+Na-2H]-	213.07744	147.8
[M]+	192.10222	142.9
[M]-	192.10332	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe