CID 43163556

3-(6-chloro-1h-indol-1-yl)propanoic acid

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
C1=CC(=CC2=C1C=CN2CCC(=O)O)Cl
InChI
InChI=1S/C11H10ClNO2/c12-9-2-1-8-3-5-13(10(8)7-9)6-4-11(14)15/h1-3,5,7H,4,6H2,(H,14,15)
InChIKey
LLEYHJBTSQUOOP-UHFFFAOYSA-N
Compound name
3-(6-chloroindol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.04001 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04729 144.3
[M+Na]+ 246.02923 158.3
[M+NH4]+ 241.07383 152.8
[M+K]+ 262.00317 153.1
[M-H]- 222.03273 145.4
[M+Na-2H]- 244.01468 150.2
[M]+ 223.03946 146.8
[M]- 223.04056 146.8
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

No patent data available for this compound.