CID 204372

Tyrosine, 3-carboxy-5-methyl-, dl-

Structural Information

Molecular Formula
C11H13NO5
SMILES
CC1=CC(=CC(=C1O)C(=O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H13NO5/c1-5-2-6(4-8(12)11(16)17)3-7(9(5)13)10(14)15/h2-3,8,13H,4,12H2,1H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKey
NRZJLLXKHTWVFJ-QMMMGPOBSA-N
Compound name
5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxy-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.07938 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.086656 151.1
[M+Na]+ 262.068598 157.5
[M-H]- 238.072104 150.7
[M+NH4]+ 257.113203 166.0
[M+K]+ 278.042538 155.5
[M+H-H2O]+ 222.076640 145.4
[M+HCOO]- 284.077581 169.2
[M+CH3COO]- 298.093231 189.9
[M+Na-2H]- 260.054046 150.1
[M]+ 239.07883142 149.3
[M]- 239.07992858 149.3
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