CID 50106

Diethylquinoline

Structural Information

Molecular Formula
C13H15N
SMILES
CCC1=CC2=C(C=C1)N=C(C=C2)CC
InChI
InChI=1S/C13H15N/c1-3-10-5-8-13-11(9-10)6-7-12(4-2)14-13/h5-9H,3-4H2,1-2H3
InChIKey
KXXUQZRDMOQZFD-UHFFFAOYSA-N
Compound name
2,6-diethylquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

185.12045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 140.7
[M+Na]+ 208.10967 156.6
[M+NH4]+ 203.15427 150.9
[M+K]+ 224.08361 147.5
[M-H]- 184.11317 144.6
[M+Na-2H]- 206.09512 149.3
[M]+ 185.11990 144.3
[M]- 185.12100 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe