CID 3081973

4-dimethylamino-l-phenylalanine

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CN(C)C1=CC=C(C=C1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H16N2O2/c1-13(2)9-5-3-8(4-6-9)7-10(12)11(14)15/h3-6,10H,7,12H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKey
USEYFCOAPFGKLX-JTQLQIEISA-N
Compound name
(2S)-2-amino-3-[4-(dimethylamino)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

151
Patents

208.12119 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.9
[M+Na]+ 231.11041 153.0
[M-H]- 207.11391 151.0
[M+NH4]+ 226.15501 165.7
[M+K]+ 247.08435 152.2
[M+H-H2O]+ 191.11845 141.2
[M+HCOO]- 253.11939 170.8
[M+CH3COO]- 267.13504 193.6
[M+Na-2H]- 229.09586 150.0
[M]+ 208.12064 146.6
[M]- 208.12174 146.6
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