CID 13876049

O,alpha-dimethyl-l-tyrosine

Structural Information

Molecular Formula
C11H15NO3
SMILES
C[C@](CC1=CC=C(C=C1)OC)(C(=O)O)N
InChI
InChI=1S/C11H15NO3/c1-11(12,10(13)14)7-8-3-5-9(15-2)6-4-8/h3-6H,7,12H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKey
GSEIHXWCWAMTTH-NSHDSACASA-N
Compound name
(2S)-2-amino-3-(4-methoxyphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

209.1052 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.2
[M+Na]+ 232.094418 152.7
[M-H]- 208.097924 148.1
[M+NH4]+ 227.139023 163.8
[M+K]+ 248.068358 150.9
[M+H-H2O]+ 192.102460 140.5
[M+HCOO]- 254.103401 167.3
[M+CH3COO]- 268.119051 186.6
[M+Na-2H]- 230.079866 150.9
[M]+ 209.10465142 146.0
[M]- 209.10574858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe