CID 10566639

(2s)-2-(ethylamino)-3-phenylpropanoic acid

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCN[C@@H](CC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C11H15NO2/c1-2-12-10(11(13)14)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey
ZHLKFJCNKZEBNG-JTQLQIEISA-N
Compound name
(2S)-2-(ethylamino)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

262
Patents

193.11028 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.8
[M+Na]+ 216.09950 148.7
[M-H]- 192.10300 145.6
[M+NH4]+ 211.14410 161.9
[M+K]+ 232.07344 146.8
[M+H-H2O]+ 176.10754 137.5
[M+HCOO]- 238.10848 165.9
[M+CH3COO]- 252.12413 184.5
[M+Na-2H]- 214.08495 148.2
[M]+ 193.10973 142.7
[M]- 193.11083 142.7
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