CID 195139

3-methoxy-o,alpha-dimethyl-l-tyrosine

Structural Information

Molecular Formula
C12H17NO4
SMILES
C[C@](CC1=CC(=C(C=C1)OC)OC)(C(=O)O)N
InChI
InChI=1S/C12H17NO4/c1-12(13,11(14)15)7-8-4-5-9(16-2)10(6-8)17-3/h4-6H,7,13H2,1-3H3,(H,14,15)/t12-/m0/s1
InChIKey
QCCQWLWXLUTSAK-LBPRGKRZSA-N
Compound name
(2S)-2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

34
Patents

239.11575 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12303 153.3
[M+Na]+ 262.10497 162.7
[M+NH4]+ 257.14957 159.0
[M+K]+ 278.07891 159.4
[M-H]- 238.10847 153.0
[M+Na-2H]- 260.09042 157.0
[M]+ 239.11520 154.3
[M]- 239.11630 154.3
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