CID 56484

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

Structural Information

Molecular Formula
C15H23NO3
SMILES
CCOC1=CC=C(C=C1)C(=O)OCCNCC(C)C
InChI
InChI=1S/C15H23NO3/c1-4-18-14-7-5-13(6-8-14)15(17)19-10-9-16-11-12(2)3/h5-8,12,16H,4,9-11H2,1-3H3
InChIKey
UMVZRUSMYBWINC-UHFFFAOYSA-N
Compound name
2-(2-methylpropylamino)ethyl 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.175076 164.6
[M+Na]+ 288.157018 169.2
[M-H]- 264.160524 167.5
[M+NH4]+ 283.201623 180.9
[M+K]+ 304.130958 167.8
[M+H-H2O]+ 248.165060 157.3
[M+HCOO]- 310.166001 187.1
[M+CH3COO]- 324.181651 201.7
[M+Na-2H]- 286.142466 166.7
[M]+ 265.16725142 168.6
[M]- 265.16834858 168.6
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.