CID 11253302

199540-73-3

Structural Information

Molecular Formula
C12H14N2O3
SMILES
COC1=CC=CC2=C1C(=CN2)CC(C(=O)O)N
InChI
InChI=1S/C12H14N2O3/c1-17-10-4-2-3-9-11(10)7(6-14-9)5-8(13)12(15)16/h2-4,6,8,14H,5,13H2,1H3,(H,15,16)
InChIKey
VYXPKRIKQJEAOO-UHFFFAOYSA-N
Compound name
2-amino-3-(4-methoxy-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

234.10045 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 150.9
[M+Na]+ 257.08967 158.8
[M-H]- 233.09317 151.6
[M+NH4]+ 252.13427 168.4
[M+K]+ 273.06361 155.3
[M+H-H2O]+ 217.09771 144.5
[M+HCOO]- 279.09865 171.4
[M+CH3COO]- 293.11430 188.9
[M+Na-2H]- 255.07512 153.9
[M]+ 234.09990 151.0
[M]- 234.10100 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe