CID 13734062

(2s)-2-amino-3-(7-methyl-1h-indol-3-yl)propanoic acid

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CC1=C2C(=CC=C1)C(=CN2)C[C@@H](C(=O)O)N
InChI
InChI=1S/C12H14N2O2/c1-7-3-2-4-9-8(6-14-11(7)9)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKey
KBOZNJNHBBROHM-JTQLQIEISA-N
Compound name
(2S)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

299
Patents

218.10553 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 148.0
[M+Na]+ 241.09475 158.3
[M+NH4]+ 236.13935 154.8
[M+K]+ 257.06869 155.7
[M-H]- 217.09825 148.3
[M+Na-2H]- 239.08020 151.7
[M]+ 218.10498 149.1
[M]- 218.10608 149.1
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