CID 56355

Benzoic acid, p-ethoxy-, 2-(ethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C13H19NO3
SMILES
CCNCCOC(=O)C1=CC=C(C=C1)OCC
InChI
InChI=1S/C13H19NO3/c1-3-14-9-10-17-13(15)11-5-7-12(8-6-11)16-4-2/h5-8,14H,3-4,9-10H2,1-2H3
InChIKey
YULTTXAGPJTTKP-UHFFFAOYSA-N
Compound name
2-(ethylamino)ethyl 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 154.9
[M+Na]+ 260.125708 160.5
[M-H]- 236.129214 158.0
[M+NH4]+ 255.170313 172.3
[M+K]+ 276.099648 159.1
[M+H-H2O]+ 220.133750 147.8
[M+HCOO]- 282.134691 179.0
[M+CH3COO]- 296.150341 194.8
[M+Na-2H]- 258.111156 159.2
[M]+ 237.13594142 158.7
[M]- 237.13703858 158.7
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.