CID 17754204

2-hydroxy-l-tryptophan

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8,13-14H,5,12H2,(H,15,16)/t8-/m0/s1
InChIKey
VAUYGGXCASQWHK-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-(2-hydroxy-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1579
Patents

220.0848 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 146.9
[M+Na]+ 243.07402 156.4
[M+NH4]+ 238.11862 152.9
[M+K]+ 259.04796 154.8
[M-H]- 219.07752 146.1
[M+Na-2H]- 241.05947 149.8
[M]+ 220.08425 147.5
[M]- 220.08535 147.5
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