CID 76791

3-ethyl-2-propylquinoline

Structural Information

Molecular Formula
C14H17N
SMILES
CCCC1=NC2=CC=CC=C2C=C1CC
InChI
InChI=1S/C14H17N/c1-3-7-13-11(4-2)10-12-8-5-6-9-14(12)15-13/h5-6,8-10H,3-4,7H2,1-2H3
InChIKey
CXHUPHNAWXTJFS-UHFFFAOYSA-N
Compound name
3-ethyl-2-propylquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

199.1361 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.14338 145.3
[M+Na]+ 222.12532 161.0
[M+NH4]+ 217.16992 155.4
[M+K]+ 238.09926 151.7
[M-H]- 198.12882 149.2
[M+Na-2H]- 220.11077 153.6
[M]+ 199.13555 148.9
[M]- 199.13665 148.9
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