CID 48183

Ethyl 4-amino-2-(3,4-methylenedioxyphenyl)butyrate hydrochloride

Structural Information

Molecular Formula
C13H17NO4
SMILES
CCOC(=O)C(CCN)C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C13H17NO4/c1-2-16-13(15)10(5-6-14)9-3-4-11-12(7-9)18-8-17-11/h3-4,7,10H,2,5-6,8,14H2,1H3
InChIKey
QICUGJMOBGFFRY-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-(1,3-benzodioxol-5-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.11575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 157.1
[M+Na]+ 274.10497 166.2
[M+NH4]+ 269.14957 163.9
[M+K]+ 290.07891 164.3
[M-H]- 250.10847 160.4
[M+Na-2H]- 272.09042 158.8
[M]+ 251.11520 159.0
[M]- 251.11630 159.0
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.