CID 3023352

Ethyl 2-(diethylamino)benzoate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCN(CC)C1=CC=CC=C1C(=O)OCC
InChI
InChI=1S/C13H19NO2/c1-4-14(5-2)12-10-8-7-9-11(12)13(15)16-6-3/h7-10H,4-6H2,1-3H3
InChIKey
WKRKXDRSJVDMGO-UHFFFAOYSA-N
Compound name
ethyl 2-(diethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

309
Patents

221.14159 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.8
[M+Na]+ 244.13081 157.8
[M-H]- 220.13431 156.6
[M+NH4]+ 239.17541 170.7
[M+K]+ 260.10475 157.2
[M+H-H2O]+ 204.13885 144.9
[M+HCOO]- 266.13979 176.2
[M+CH3COO]- 280.15544 196.2
[M+Na-2H]- 242.11626 155.4
[M]+ 221.14104 155.5
[M]- 221.14214 155.5
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

patents stripe