CID 53414124

4-amino-5-(1h-indol-3-yl)-5-oxopentanoic acid hydrochloride

Structural Information

Molecular Formula
C13H14N2O3
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)C(CCC(=O)O)N
InChI
InChI=1S/C13H14N2O3/c14-10(5-6-12(16)17)13(18)9-7-15-11-4-2-1-3-8(9)11/h1-4,7,10,15H,5-6,14H2,(H,16,17)
InChIKey
WXPJMCPZYFQWGL-UHFFFAOYSA-N
Compound name
4-amino-5-(1H-indol-3-yl)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 154.8
[M+Na]+ 269.08967 163.7
[M+NH4]+ 264.13427 160.4
[M+K]+ 285.06361 161.9
[M-H]- 245.09317 154.0
[M+Na-2H]- 267.07512 157.6
[M]+ 246.09990 155.3
[M]- 246.10100 155.3
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

No patent data available for this compound.