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

15
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 160.6
[M+Na]+ 319.00527 162.1
[M+NH4]+ 314.04987 164.1
[M+K]+ 334.97921 164.5
[M-H]- 295.00877 159.9
[M+Na-2H]- 316.99072 161.5
[M]+ 296.01550 159.2
[M]- 296.01660 159.2
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