CID 185231

2-pentylquinoline

Structural Information

Molecular Formula
C14H17N
SMILES
CCCCCC1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H17N/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15-13/h5-7,9-11H,2-4,8H2,1H3
InChIKey
GMTGCIAJHZEUNB-UHFFFAOYSA-N
Compound name
2-pentylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

505
Patents

199.1361 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.14338 145.3
[M+Na]+ 222.12532 153.0
[M-H]- 198.12882 148.0
[M+NH4]+ 217.16992 164.5
[M+K]+ 238.09926 148.9
[M+H-H2O]+ 182.13336 138.0
[M+HCOO]- 244.13430 166.8
[M+CH3COO]- 258.14995 187.7
[M+Na-2H]- 220.11077 153.5
[M]+ 199.13555 146.6
[M]- 199.13665 146.6
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