CID 644329

5-bromo-l-tryptophan

Structural Information

Molecular Formula
C11H11BrN2O2
SMILES
C1=CC2=C(C=C1Br)C(=CN2)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
InChIKey
KZDNJQUJBMDHJW-VIFPVBQESA-N
Compound name
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

1585
Patents

282.0004 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.007676 156.2
[M+Na]+ 304.989618 167.3
[M-H]- 280.993124 159.5
[M+NH4]+ 300.034223 175.3
[M+K]+ 320.963558 154.6
[M+H-H2O]+ 264.997660 155.4
[M+HCOO]- 326.998601 174.3
[M+CH3COO]- 341.014251 193.5
[M+Na-2H]- 302.975066 160.3
[M]+ 281.99985142 172.9
[M]- 282.00094858 172.9
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