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]+ 240.086656 151.3
[M+Na]+ 262.068598 156.5
[M-H]- 238.072104 152.2
[M+NH4]+ 257.113203 166.8
[M+K]+ 278.042538 155.5
[M+H-H2O]+ 222.076640 144.9
[M+HCOO]- 284.077581 171.7
[M+CH3COO]- 298.093231 188.6
[M+Na-2H]- 260.054046 153.4
[M]+ 239.07883142 151.5
[M]- 239.07992858 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