CID 700653

N-acetyl-l-tryptophan

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1
InChIKey
DZTHIGRZJZPRDV-LBPRGKRZSA-N
Compound name
(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

150
References

6156
Patents

246.10045 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 154.7
[M+Na]+ 269.08967 161.3
[M-H]- 245.09317 155.5
[M+NH4]+ 264.13427 171.6
[M+K]+ 285.06361 157.8
[M+H-H2O]+ 229.09771 148.1
[M+HCOO]- 291.09865 174.7
[M+CH3COO]- 305.11430 190.7
[M+Na-2H]- 267.07512 157.7
[M]+ 246.09990 154.4
[M]- 246.10100 154.4
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