CID 48216

Ethyl 4-amino-2-(p-methoxyphenyl)butyrate hydrochloride

Structural Information

Molecular Formula
C13H19NO3
SMILES
CCOC(=O)C(CCN)C1=CC=C(C=C1)OC
InChI
InChI=1S/C13H19NO3/c1-3-17-13(15)12(8-9-14)10-4-6-11(16-2)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3
InChIKey
LELSICQPSVWQAJ-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-(4-methoxyphenyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.9
[M+Na]+ 260.12571 161.3
[M-H]- 236.12921 158.7
[M+NH4]+ 255.17031 173.1
[M+K]+ 276.09965 160.1
[M+H-H2O]+ 220.13375 149.0
[M+HCOO]- 282.13469 178.4
[M+CH3COO]- 296.15034 195.0
[M+Na-2H]- 258.11116 157.9
[M]+ 237.13594 158.1
[M]- 237.13704 158.1
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.