CID 41095

3,5-dimethylbenzoic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCN(CC)CCOC(=O)C1=CC(=CC(=C1)C)C
InChI
InChI=1S/C15H23NO2/c1-5-16(6-2)7-8-18-15(17)14-10-12(3)9-13(4)11-14/h9-11H,5-8H2,1-4H3
InChIKey
UMZQWZGBUCAHGF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3,5-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 160.3
[M+Na]+ 272.16210 171.5
[M+NH4]+ 267.20670 167.8
[M+K]+ 288.13604 165.1
[M-H]- 248.16560 162.7
[M+Na-2H]- 270.14755 165.6
[M]+ 249.17233 162.5
[M]- 249.17343 162.5
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.