CID 13175200

Oxytryptophan

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1=CC=C2C(=C1)C(=CN2O)CC(C(=O)O)N
InChI
InChI=1S/C11H12N2O3/c12-9(11(14)15)5-7-6-13(16)10-4-2-1-3-8(7)10/h1-4,6,9,16H,5,12H2,(H,14,15)
InChIKey
XQIRHEWBKIRPOB-UHFFFAOYSA-N
Compound name
2-amino-3-(1-hydroxyindol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4217
References

25
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 146.5
[M+Na]+ 243.07402 156.6
[M+NH4]+ 238.11862 152.9
[M+K]+ 259.04796 154.7
[M-H]- 219.07752 146.3
[M+Na-2H]- 241.05947 150.1
[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