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

18
Patents

296.01605 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.02333 160.5
[M+Na]+ 319.00527 171.7
[M-H]- 295.00877 165.0
[M+NH4]+ 314.04987 179.9
[M+K]+ 334.97921 159.7
[M+H-H2O]+ 279.01331 159.5
[M+HCOO]- 341.01425 179.8
[M+CH3COO]- 355.02990 197.9
[M+Na-2H]- 316.99072 164.5
[M]+ 296.01550 179.3
[M]- 296.01660 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