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

1040
Patents

218.10553 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 148.4
[M+Na]+ 241.09475 156.3
[M-H]- 217.09825 149.0
[M+NH4]+ 236.13935 166.6
[M+K]+ 257.06869 152.1
[M+H-H2O]+ 201.10279 142.6
[M+HCOO]- 263.10373 168.1
[M+CH3COO]- 277.11938 184.9
[M+Na-2H]- 239.08020 154.1
[M]+ 218.10498 146.9
[M]- 218.10608 146.9
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