CID 14728699

Methyl 2-amino-3-(5-bromo-1h-indol-3-yl)propanoate hydrochloride

Structural Information

Molecular Formula
C12H13BrN2O2
SMILES
COC(=O)C(CC1=CNC2=C1C=C(C=C2)Br)N
InChI
InChI=1S/C12H13BrN2O2/c1-17-12(16)10(14)4-7-6-15-11-3-2-8(13)5-9(7)11/h2-3,5-6,10,15H,4,14H2,1H3
InChIKey
WLAQXNVMSYAGLF-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(5-bromo-1H-indol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

296.01605 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.023326 160.5
[M+Na]+ 319.005268 171.7
[M-H]- 295.008774 165.0
[M+NH4]+ 314.049873 179.9
[M+K]+ 334.979208 159.7
[M+H-H2O]+ 279.013310 159.5
[M+HCOO]- 341.014251 179.8
[M+CH3COO]- 355.029901 197.9
[M+Na-2H]- 316.990716 164.5
[M]+ 296.01550142 179.3
[M]- 296.01659858 179.3
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