CID 48216

66859-68-5

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]+ 238.143766 155.9
[M+Na]+ 260.125708 161.3
[M-H]- 236.129214 158.7
[M+NH4]+ 255.170313 173.1
[M+K]+ 276.099648 160.1
[M+H-H2O]+ 220.133750 149.0
[M+HCOO]- 282.134691 178.4
[M+CH3COO]- 296.150341 195.0
[M+Na-2H]- 258.111156 157.9
[M]+ 237.13594142 158.1
[M]- 237.13703858 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.