CID 504077

4-methyl-2,8-dipentylquinoline

Structural Information

Molecular Formula
C20H29N
SMILES
CCCCCC1=C2C(=CC=C1)C(=CC(=N2)CCCCC)C
InChI
InChI=1S/C20H29N/c1-4-6-8-11-17-12-10-14-19-16(3)15-18(21-20(17)19)13-9-7-5-2/h10,12,14-15H,4-9,11,13H2,1-3H3
InChIKey
IQLQTGINFLFBFY-UHFFFAOYSA-N
Compound name
4-methyl-2,8-dipentylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.23 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.23728 173.0
[M+Na]+ 306.21922 179.9
[M-H]- 282.22272 175.3
[M+NH4]+ 301.26382 189.4
[M+K]+ 322.19316 174.4
[M+H-H2O]+ 266.22726 164.8
[M+HCOO]- 328.22820 192.4
[M+CH3COO]- 342.24385 207.9
[M+Na-2H]- 304.20467 176.3
[M]+ 283.22945 177.2
[M]- 283.23055 177.2
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

No patent data available for this compound.