CID 57355072

1421258-68-5

Structural Information

Molecular Formula
C11H15NO3
SMILES
COC1=CC=C(C=C1)C[C@@H](CC(=O)O)N
InChI
InChI=1S/C11H15NO3/c1-15-10-4-2-8(3-5-10)6-9(12)7-11(13)14/h2-5,9H,6-7,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKey
GQFFGGKZIKRIFE-VIFPVBQESA-N
Compound name
(3S)-3-amino-4-(4-methoxyphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.7
[M+Na]+ 232.09442 156.4
[M+NH4]+ 227.13902 153.3
[M+K]+ 248.06836 152.1
[M-H]- 208.09792 147.4
[M+Na-2H]- 230.07987 151.1
[M]+ 209.10465 147.9
[M]- 209.10575 147.9
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.