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
2
Annotation Hits

6
References

40
Patents

239.11575 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.123026 153.1
[M+Na]+ 262.104968 159.9
[M-H]- 238.108474 155.2
[M+NH4]+ 257.149573 169.8
[M+K]+ 278.078908 158.7
[M+H-H2O]+ 222.113010 147.3
[M+HCOO]- 284.113951 174.0
[M+CH3COO]- 298.129601 193.1
[M+Na-2H]- 260.090416 156.8
[M]+ 239.11520142 155.2
[M]- 239.11629858 155.2
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