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 145.0
[M+Na]+ 246.02923 156.1
[M-H]- 222.03273 147.5
[M+NH4]+ 241.07383 165.4
[M+K]+ 262.00317 150.9
[M+H-H2O]+ 206.03727 139.7
[M+HCOO]- 268.03821 163.2
[M+CH3COO]- 282.05386 184.6
[M+Na-2H]- 244.01468 150.2
[M]+ 223.03946 149.5
[M]- 223.04056 149.5
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.