CID 3060709

B 736

Structural Information

Molecular Formula
C10H21Cl2N2O2P
SMILES
CCCC1(CNP(=O)(O1)N(CCCl)CCCl)C
InChI
InChI=1S/C10H21Cl2N2O2P/c1-3-4-10(2)9-13-17(15,16-10)14(7-5-11)8-6-12/h3-9H2,1-2H3,(H,13,15)
InChIKey
XHRIWFINAUWDHO-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-5-methyl-2-oxo-5-propyl-1,3,2lambda5-oxazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.07178 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07906 162.1
[M+Na]+ 325.06100 169.2
[M-H]- 301.06450 162.9
[M+NH4]+ 320.10560 181.8
[M+K]+ 341.03494 166.0
[M+H-H2O]+ 285.06904 156.4
[M+HCOO]- 347.06998 178.0
[M+CH3COO]- 361.08563 202.1
[M+Na-2H]- 323.04645 163.2
[M]+ 302.07123 167.0
[M]- 302.07233 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.