CID 68309

N-methyl-l-tyrosine

Structural Information

Molecular Formula
C10H13NO3
SMILES
CN[C@@H](CC1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKey
AXDLCFOOGCNDST-VIFPVBQESA-N
Compound name
(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7182
Patents

195.08954 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.096816 142.1
[M+Na]+ 218.078758 147.9
[M-H]- 194.082264 143.1
[M+NH4]+ 213.123363 159.7
[M+K]+ 234.052698 145.9
[M+H-H2O]+ 178.086800 136.3
[M+HCOO]- 240.087741 163.2
[M+CH3COO]- 254.103391 182.3
[M+Na-2H]- 216.064206 145.8
[M]+ 195.08899142 140.5
[M]- 195.09008858 140.5
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