CID 16209

Fc 676

Structural Information

Molecular Formula
C14H20ClNO2
SMILES
CCN(CC)C(C)C(=O)OC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C14H20ClNO2/c1-5-16(6-2)11(4)14(17)18-13-10(3)8-7-9-12(13)15/h7-9,11H,5-6H2,1-4H3
InChIKey
XMXGLTUKPYLZCP-UHFFFAOYSA-N
Compound name
(2-chloro-6-methylphenyl) 2-(diethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11826 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12554 161.6
[M+Na]+ 292.10748 168.7
[M-H]- 268.11098 166.6
[M+NH4]+ 287.15208 179.7
[M+K]+ 308.08142 166.3
[M+H-H2O]+ 252.11552 155.9
[M+HCOO]- 314.11646 180.3
[M+CH3COO]- 328.13211 205.0
[M+Na-2H]- 290.09293 162.4
[M]+ 269.11771 167.7
[M]- 269.11881 167.7
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.