CID 208889

82224-88-2

Structural Information

Molecular Formula
C9H15Cl2NO4
SMILES
CC(C)(COC(=O)CCCC(=O)O)N(Cl)Cl
InChI
InChI=1S/C9H15Cl2NO4/c1-9(2,12(10)11)6-16-8(15)5-3-4-7(13)14/h3-6H2,1-2H3,(H,13,14)
InChIKey
UVZCJDALSYJEOG-UHFFFAOYSA-N
Compound name
5-[2-(dichloroamino)-2-methylpropoxy]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0378 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04508 155.9
[M+Na]+ 294.02702 163.7
[M+NH4]+ 289.07162 161.1
[M+K]+ 310.00096 160.6
[M-H]- 270.03052 152.6
[M+Na-2H]- 292.01247 156.9
[M]+ 271.03725 156.2
[M]- 271.03835 156.2
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.