CID 95438

Alpha-methyl-dl-tryptophan

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)O)N

InChI

InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)

InChIKey

ZTTWHZHBPDYSQB-UHFFFAOYSA-N

Compound name

2-amino-3-(1H-indol-3-yl)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 135
References: 861
Patents: 218.10553 Da
Monoisotopic Mass: -0.9
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]+	219.11281	147.5
[M+Na]+	241.09475	157.5
[M+NH4]+	236.13935	154.3
[M+K]+	257.06869	155.1
[M-H]-	217.09825	147.3
[M+Na-2H]-	239.08020	151.9
[M]+	218.10498	148.6
[M]-	218.10608	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe