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 147.9
[M+Na]+ 214.04746 156.2
[M-H]- 190.05096 147.5
[M+NH4]+ 209.09206 163.2
[M+K]+ 230.02140 148.0
[M+H-H2O]+ 174.05550 140.7
[M+HCOO]- 236.05644 163.8
[M+CH3COO]- 250.07209 181.5
[M+Na-2H]- 212.03291 151.6
[M]+ 191.05769 138.6
[M]- 191.05879 138.6
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.