CID 44145885

(2s)-2-amino-3-(2,3-dihydro-1h-indol-3-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1C(C2=CC=CC=C2N1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H14N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,7,9,13H,5-6,12H2,(H,14,15)/t7?,9-/m0/s1
InChIKey
SPHNJDOWMOXSMT-NETXQHHPSA-N
Compound name
(2S)-2-amino-3-(2,3-dihydro-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

456
Patents

206.10553 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 145.8
[M+Na]+ 229.09475 151.5
[M-H]- 205.09825 145.6
[M+NH4]+ 224.13935 164.1
[M+K]+ 245.06869 147.9
[M+H-H2O]+ 189.10279 139.7
[M+HCOO]- 251.10373 163.6
[M+CH3COO]- 265.11938 183.1
[M+Na-2H]- 227.08020 148.1
[M]+ 206.10498 140.9
[M]- 206.10608 140.9
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