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 156.7
[M+Na]+ 311.04534 163.5
[M-H]- 287.04884 157.5
[M+NH4]+ 306.08994 175.3
[M+K]+ 327.01928 161.0
[M+H-H2O]+ 271.05338 150.9
[M+HCOO]- 333.05432 171.1
[M+CH3COO]- 347.06997 199.6
[M+Na-2H]- 309.03079 159.4
[M]+ 288.05557 159.6
[M]- 288.05667 159.6
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.