CID 504072

4-methyl-2-propylquinoline

Structural Information

Molecular Formula
C13H15N
SMILES
CCCC1=NC2=CC=CC=C2C(=C1)C
InChI
InChI=1S/C13H15N/c1-3-6-11-9-10(2)12-7-4-5-8-13(12)14-11/h4-5,7-9H,3,6H2,1-2H3
InChIKey
PBILQHLRWUAGRT-UHFFFAOYSA-N
Compound name
4-methyl-2-propylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

185.12045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 140.4
[M+Na]+ 208.10967 149.5
[M-H]- 184.11317 143.7
[M+NH4]+ 203.15427 160.5
[M+K]+ 224.08361 145.7
[M+H-H2O]+ 168.11771 133.6
[M+HCOO]- 230.11865 162.3
[M+CH3COO]- 244.13430 185.7
[M+Na-2H]- 206.09512 148.4
[M]+ 185.11990 141.8
[M]- 185.12100 141.8
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