CID 55265487

3-cyclopentyl-1h-indole

Structural Information

Molecular Formula
C13H15N
SMILES
C1CCC(C1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H15N/c1-2-6-10(5-1)12-9-14-13-8-4-3-7-11(12)13/h3-4,7-10,14H,1-2,5-6H2
InChIKey
CODQEEVNEGRRSZ-UHFFFAOYSA-N
Compound name
3-cyclopentyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

185.12045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 140.3
[M+Na]+ 208.10967 148.3
[M-H]- 184.11317 145.5
[M+NH4]+ 203.15427 162.6
[M+K]+ 224.08361 143.6
[M+H-H2O]+ 168.11771 133.8
[M+HCOO]- 230.11865 162.4
[M+CH3COO]- 244.13430 153.6
[M+Na-2H]- 206.09512 144.3
[M]+ 185.11990 137.2
[M]- 185.12100 137.2
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

patents stripe