CID 48385

66922-80-3

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCOC(=O)C(CCN)C1=CC(=C(C=C1)C)C
InChI
InChI=1S/C14H21NO2/c1-4-17-14(16)13(7-8-15)12-6-5-10(2)11(3)9-12/h5-6,9,13H,4,7-8,15H2,1-3H3
InChIKey
IGVMTOCIKLSXKF-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.15723 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 157.0
[M+Na]+ 258.146448 163.1
[M-H]- 234.149954 160.0
[M+NH4]+ 253.191053 174.7
[M+K]+ 274.120388 161.0
[M+H-H2O]+ 218.154490 150.5
[M+HCOO]- 280.155431 179.0
[M+CH3COO]- 294.171081 197.2
[M+Na-2H]- 256.131896 157.8
[M]+ 235.15668142 158.6
[M]- 235.15777858 158.6
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.