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]+ 224.128126 150.6
[M+Na]+ 246.110068 157.6
[M-H]- 222.113574 152.7
[M+NH4]+ 241.154673 168.1
[M+K]+ 262.084008 155.8
[M+H-H2O]+ 206.118110 145.0
[M+HCOO]- 268.119051 171.3
[M+CH3COO]- 282.134701 190.2
[M+Na-2H]- 244.095516 154.1
[M]+ 223.12030142 151.1
[M]- 223.12139858 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.