CID 11230171

N-carbomethoxy-l-tyrosine

Structural Information

Molecular Formula
C11H13NO5
SMILES
COC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C11H13NO5/c1-17-11(16)12-9(10(14)15)6-7-2-4-8(13)5-3-7/h2-5,9,13H,6H2,1H3,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKey
FLXYBPYOUFSWKY-VIFPVBQESA-N
Compound name
(2S)-3-(4-hydroxyphenyl)-2-(methoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

239.07938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08666 151.3
[M+Na]+ 262.06860 156.5
[M-H]- 238.07210 152.2
[M+NH4]+ 257.11320 166.8
[M+K]+ 278.04254 155.5
[M+H-H2O]+ 222.07664 144.9
[M+HCOO]- 284.07758 171.7
[M+CH3COO]- 298.09323 188.6
[M+Na-2H]- 260.05405 153.4
[M]+ 239.07883 151.5
[M]- 239.07993 151.5
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