CID 16209

2014-30-4

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]+ 270.125536 161.6
[M+Na]+ 292.107478 168.7
[M-H]- 268.110984 166.6
[M+NH4]+ 287.152083 179.7
[M+K]+ 308.081418 166.3
[M+H-H2O]+ 252.115520 155.9
[M+HCOO]- 314.116461 180.3
[M+CH3COO]- 328.132111 205.0
[M+Na-2H]- 290.092926 162.4
[M]+ 269.11771142 167.7
[M]- 269.11880858 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.