CID 11413703

L-tyrosine, n-(1-oxopropyl)-

Structural Information

Molecular Formula
C12H15NO4
SMILES
CCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C12H15NO4/c1-2-11(15)13-10(12(16)17)7-8-3-5-9(14)6-4-8/h3-6,10,14H,2,7H2,1H3,(H,13,15)(H,16,17)/t10-/m0/s1
InChIKey
RIUFKWHJUHBQAL-JTQLQIEISA-N
Compound name
(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

237.10011 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 153.7
[M+Na]+ 260.08933 162.1
[M+NH4]+ 255.13393 158.9
[M+K]+ 276.06327 159.0
[M-H]- 236.09283 152.9
[M+Na-2H]- 258.07478 156.7
[M]+ 237.09956 154.1
[M]- 237.10066 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe