CID 56387

P-ethoxybenzoic acid 2-(isopropylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCOC1=CC=C(C=C1)C(=O)OCCNC(C)C
InChI
InChI=1S/C14H21NO3/c1-4-17-13-7-5-12(6-8-13)14(16)18-10-9-15-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3
InChIKey
IHSIQLCMWPVNCC-UHFFFAOYSA-N
Compound name
2-(propan-2-ylamino)ethyl 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.15215 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.159426 160.0
[M+Na]+ 274.141368 165.0
[M-H]- 250.144874 163.1
[M+NH4]+ 269.185973 176.8
[M+K]+ 290.115308 163.8
[M+H-H2O]+ 234.149410 152.9
[M+HCOO]- 296.150351 182.8
[M+CH3COO]- 310.166001 198.7
[M+Na-2H]- 272.126816 162.6
[M]+ 251.15160142 163.6
[M]- 251.15269858 163.6
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

No patent data available for this compound.