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]+ 252.15943 160.0
[M+Na]+ 274.14137 165.0
[M-H]- 250.14487 163.1
[M+NH4]+ 269.18597 176.8
[M+K]+ 290.11531 163.8
[M+H-H2O]+ 234.14941 152.9
[M+HCOO]- 296.15035 182.8
[M+CH3COO]- 310.16600 198.7
[M+Na-2H]- 272.12682 162.6
[M]+ 251.15160 163.6
[M]- 251.15270 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.