CID 197411

2,3-methano-3-tyrosine

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1[C@@H]([C@]1(C(=O)O)N)C2=CC(=CC=C2)O
InChI
InChI=1S/C10H11NO3/c11-10(9(13)14)5-8(10)6-2-1-3-7(12)4-6/h1-4,8,12H,5,11H2,(H,13,14)/t8-,10-/m1/s1
InChIKey
QJIGJBFNKLGGML-PSASIEDQSA-N
Compound name
(1R,2R)-1-amino-2-(3-hydroxyphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

193.0739 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 136.4
[M+Na]+ 216.06312 146.2
[M-H]- 192.06662 141.8
[M+NH4]+ 211.10772 151.4
[M+K]+ 232.03706 142.8
[M+H-H2O]+ 176.07116 131.9
[M+HCOO]- 238.07210 158.1
[M+CH3COO]- 252.08775 183.5
[M+Na-2H]- 214.04857 141.9
[M]+ 193.07335 137.1
[M]- 193.07445 137.1
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