CID 128749

N-acetyl-5-hydroxy-l-tryptophan

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CC(=O)N[C@@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O
InChI
InChI=1S/C13H14N2O4/c1-7(16)15-12(13(18)19)4-8-6-14-11-3-2-9(17)5-10(8)11/h2-3,5-6,12,14,17H,4H2,1H3,(H,15,16)(H,18,19)/t12-/m0/s1
InChIKey
MOFGVUQTFJGNSG-LBPRGKRZSA-N
Compound name
(2S)-2-acetamido-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

66
Patents

262.09537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.102646 157.4
[M+Na]+ 285.084588 164.3
[M-H]- 261.088094 157.3
[M+NH4]+ 280.129193 173.1
[M+K]+ 301.058528 160.8
[M+H-H2O]+ 245.092630 151.2
[M+HCOO]- 307.093571 176.1
[M+CH3COO]- 321.109221 192.0
[M+Na-2H]- 283.070036 159.4
[M]+ 262.09482142 157.1
[M]- 262.09591858 157.1
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