CID 10081308

186393-25-9

Structural Information

Molecular Formula
C11H15NO2
SMILES
COC(=O)C[C@@H](CC1=CC=CC=C1)N
InChI
InChI=1S/C11H15NO2/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m1/s1
InChIKey
JFNXWNUTVYGPMF-SNVBAGLBSA-N
Compound name
methyl (3R)-3-amino-4-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

193.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 144.2
[M+Na]+ 216.09950 149.6
[M-H]- 192.10300 147.0
[M+NH4]+ 211.14410 162.9
[M+K]+ 232.07344 148.2
[M+H-H2O]+ 176.10754 137.7
[M+HCOO]- 238.10848 167.2
[M+CH3COO]- 252.12413 185.7
[M+Na-2H]- 214.08495 148.0
[M]+ 193.10973 143.8
[M]- 193.11083 143.8
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

patents stripe