CID 17390

Benzoic acid, 2-(diethylamino)ethyl ester

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCN(CC)CCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H19NO2/c1-3-14(4-2)10-11-16-13(15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey
GEVPHAFTDXTZHY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

147
Patents

221.14159 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.5
[M+Na]+ 244.13081 157.5
[M-H]- 220.13431 156.9
[M+NH4]+ 239.17541 171.1
[M+K]+ 260.10475 156.9
[M+H-H2O]+ 204.13885 145.3
[M+HCOO]- 266.13979 177.0
[M+CH3COO]- 280.15544 195.1
[M+Na-2H]- 242.11626 156.8
[M]+ 221.14104 155.8
[M]- 221.14214 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe