CID 16792

2283-49-0

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
CCN(CC)CC(=O)OC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C13H18ClNO2/c1-4-15(5-2)9-12(16)17-13-10(3)7-6-8-11(13)14/h6-8H,4-5,9H2,1-3H3
InChIKey
MLVMJMOFVRDLGK-UHFFFAOYSA-N
Compound name
(2-chloro-6-methylphenyl) 2-(diethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1026 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10988 157.3
[M+Na]+ 278.09182 165.0
[M-H]- 254.09532 162.3
[M+NH4]+ 273.13642 176.0
[M+K]+ 294.06576 162.4
[M+H-H2O]+ 238.09986 151.5
[M+HCOO]- 300.10080 177.2
[M+CH3COO]- 314.11645 201.1
[M+Na-2H]- 276.07727 159.8
[M]+ 255.10205 163.5
[M]- 255.10315 163.5
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.