CID 151018

5-methoxy-l-tryptophan

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

COC1=CC2=C(C=C1)NC=C2C[C@@H](C(=O)O)N

InChI

InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1

InChIKey

KVNPSKDDJARYKK-JTQLQIEISA-N

Compound name

(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 58
References: 2331
Patents: 234.10045 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.107726	150.9
[M+Na]+	257.089668	158.8
[M-H]-	233.093174	151.6
[M+NH4]+	252.134273	168.4
[M+K]+	273.063608	155.3
[M+H-H2O]+	217.097710	144.5
[M+HCOO]-	279.098651	171.4
[M+CH3COO]-	293.114301	188.9
[M+Na-2H]-	255.075116	153.9
[M]+	234.09990142	151.0
[M]-	234.10099858	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe