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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 140.4
[M+Na]+ 214.04746 152.1
[M+NH4]+ 209.09206 144.3
[M+K]+ 230.02140 146.1
[M-H]- 190.05096 134.4
[M+Na-2H]- 212.03291 142.6
[M]+ 191.05769 139.3
[M]- 191.05879 139.3
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

No patent data available for this compound.