CID 134160361

L-tyrosine isonitrile

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

[C-]#[N+][C@@H](CC1=CC=C(C=C1)O)C(=O)O

InChI

InChI=1S/C10H9NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6H2,(H,13,14)/t9-/m0/s1

InChIKey

YAVJAMZLLTZAJX-VIFPVBQESA-N

Compound name

(2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 191.05824 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.065516	147.9
[M+Na]+	214.047458	156.2
[M-H]-	190.050964	147.5
[M+NH4]+	209.092063	163.2
[M+K]+	230.021398	148.0
[M+H-H2O]+	174.055500	140.7
[M+HCOO]-	236.056441	163.8
[M+CH3COO]-	250.072091	181.5
[M+Na-2H]-	212.032906	151.6
[M]+	191.05769142	138.6
[M]-	191.05878858	138.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.