CID 159923

5,5-dimethylcyclophosphamide

Structural Information

Molecular Formula
C9H19Cl2N2O2P
SMILES
CC1(CNP(=O)(OC1)N(CCCl)CCCl)C
InChI
InChI=1S/C9H19Cl2N2O2P/c1-9(2)7-12-16(14,15-8-9)13(5-3-10)6-4-11/h3-8H2,1-2H3,(H,12,14)
InChIKey
JYPOGWAMDJZJEX-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-5,5-dimethyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.05612 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06340 158.9
[M+Na]+ 311.04534 168.7
[M+NH4]+ 306.08994 168.3
[M+K]+ 327.01928 159.7
[M-H]- 287.04884 160.2
[M+Na-2H]- 309.03079 164.5
[M]+ 288.05557 161.2
[M]- 288.05667 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.