CID 21874473

3-cyclopentyl-1h-indole-6-carboxylic acid

Structural Information

Molecular Formula
C14H15NO2
SMILES
C1CCC(C1)C2=CNC3=C2C=CC(=C3)C(=O)O
InChI
InChI=1S/C14H15NO2/c16-14(17)10-5-6-11-12(8-15-13(11)7-10)9-3-1-2-4-9/h5-9,15H,1-4H2,(H,16,17)
InChIKey
VBNURQAEMRKPIT-UHFFFAOYSA-N
Compound name
3-cyclopentyl-1H-indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

229.11028 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 151.3
[M+Na]+ 252.09950 158.9
[M-H]- 228.10300 155.5
[M+NH4]+ 247.14410 171.1
[M+K]+ 268.07344 154.1
[M+H-H2O]+ 212.10754 145.1
[M+HCOO]- 274.10848 170.9
[M+CH3COO]- 288.12413 163.3
[M+Na-2H]- 250.08495 152.5
[M]+ 229.10973 148.6
[M]- 229.11083 148.6
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