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]+ 256.109876 157.3
[M+Na]+ 278.091818 165.0
[M-H]- 254.095324 162.3
[M+NH4]+ 273.136423 176.0
[M+K]+ 294.065758 162.4
[M+H-H2O]+ 238.099860 151.5
[M+HCOO]- 300.100801 177.2
[M+CH3COO]- 314.116451 201.1
[M+Na-2H]- 276.077266 159.8
[M]+ 255.10205142 163.5
[M]- 255.10314858 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.