CID 202769

Tyrosine, alpha,3-dimethyl-, methyl ester, hydrochloride

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC1=C(C=CC(=C1)C[C@@](C)(C(=O)OC)N)O
InChI
InChI=1S/C12H17NO3/c1-8-6-9(4-5-10(8)14)7-12(2,13)11(15)16-3/h4-6,14H,7,13H2,1-3H3/t12-/m0/s1
InChIKey
IJHKPBBVCNYJME-LBPRGKRZSA-N
Compound name
methyl (2S)-2-amino-3-(4-hydroxy-3-methylphenyl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.6
[M+Na]+ 246.11007 157.6
[M-H]- 222.11357 152.7
[M+NH4]+ 241.15467 168.1
[M+K]+ 262.08401 155.8
[M+H-H2O]+ 206.11811 145.0
[M+HCOO]- 268.11905 171.3
[M+CH3COO]- 282.13470 190.2
[M+Na-2H]- 244.09552 154.1
[M]+ 223.12030 151.1
[M]- 223.12140 151.1
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

No patent data available for this compound.