CID 504075

4-methyl-2,8-dipropylquinoline

Structural Information

Molecular Formula
C16H21N
SMILES
CCCC1=C2C(=CC=C1)C(=CC(=N2)CCC)C
InChI
InChI=1S/C16H21N/c1-4-7-13-9-6-10-15-12(3)11-14(8-5-2)17-16(13)15/h6,9-11H,4-5,7-8H2,1-3H3
InChIKey
QGIWNSCILIDFLS-UHFFFAOYSA-N
Compound name
4-methyl-2,8-dipropylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.1674 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17468 154.3
[M+Na]+ 250.15662 163.0
[M-H]- 226.16012 157.5
[M+NH4]+ 245.20122 173.0
[M+K]+ 266.13056 158.5
[M+H-H2O]+ 210.16466 147.0
[M+HCOO]- 272.16560 175.1
[M+CH3COO]- 286.18125 195.9
[M+Na-2H]- 248.14207 159.9
[M]+ 227.16685 157.1
[M]- 227.16795 157.1
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

No patent data available for this compound.