CID 199450

4195-36-2

Structural Information

Molecular Formula
C15H22ClNO3
SMILES
CCN(CC)CC(C)OC(=O)COC1=CC=C(C=C1)Cl
InChI
InChI=1S/C15H22ClNO3/c1-4-17(5-2)10-12(3)20-15(18)11-19-14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey
ZIZXNKLDDYQATF-UHFFFAOYSA-N
Compound name
1-(diethylamino)propan-2-yl 2-(4-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13608 170.0
[M+Na]+ 322.11802 175.6
[M-H]- 298.12152 174.3
[M+NH4]+ 317.16262 186.4
[M+K]+ 338.09196 173.5
[M+H-H2O]+ 282.12606 163.5
[M+HCOO]- 344.12700 188.5
[M+CH3COO]- 358.14265 208.7
[M+Na-2H]- 320.10347 171.0
[M]+ 299.12825 177.4
[M]- 299.12935 177.4
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.