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
2
Annotation Hits

0
References

59
Patents

229.11028 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.117556 151.3
[M+Na]+ 252.099498 158.9
[M-H]- 228.103004 155.5
[M+NH4]+ 247.144103 171.1
[M+K]+ 268.073438 154.1
[M+H-H2O]+ 212.107540 145.1
[M+HCOO]- 274.108481 170.9
[M+CH3COO]- 288.124131 163.3
[M+Na-2H]- 250.084946 152.5
[M]+ 229.10973142 148.6
[M]- 229.11082858 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