CID 460079

2-cyclopentyl-4-methylquinoline

Structural Information

Molecular Formula
C15H17N
SMILES
CC1=CC(=NC2=CC=CC=C12)C3CCCC3
InChI
InChI=1S/C15H17N/c1-11-10-15(12-6-2-3-7-12)16-14-9-5-4-8-13(11)14/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKey
ACESJXHROSPNEX-UHFFFAOYSA-N
Compound name
2-cyclopentyl-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

211.1361 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.14338 148.1
[M+Na]+ 234.12532 155.6
[M-H]- 210.12882 154.1
[M+NH4]+ 229.16992 168.4
[M+K]+ 250.09926 151.0
[M+H-H2O]+ 194.13336 140.5
[M+HCOO]- 256.13430 168.7
[M+CH3COO]- 270.14995 160.8
[M+Na-2H]- 232.11077 152.4
[M]+ 211.13555 145.4
[M]- 211.13665 145.4
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

No patent data available for this compound.