CID 55296

Methyl 4-amino-3-phenylbutanoate

Structural Information

Molecular Formula
C11H15NO2
SMILES
COC(=O)CC(CN)C1=CC=CC=C1
InChI
InChI=1S/C11H15NO2/c1-14-11(13)7-10(8-12)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3
InChIKey
QGMLRHACACRFNN-UHFFFAOYSA-N
Compound name
methyl 4-amino-3-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

193.11028 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe