CID 43531941

4-chloro-6-propylquinoline

Structural Information

Molecular Formula
C12H12ClN
SMILES
CCCC1=CC2=C(C=CN=C2C=C1)Cl
InChI
InChI=1S/C12H12ClN/c1-2-3-9-4-5-12-10(8-9)11(13)6-7-14-12/h4-8H,2-3H2,1H3
InChIKey
JSEJNTUEGSCAAH-UHFFFAOYSA-N
Compound name
4-chloro-6-propylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.06583 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07311 142.1
[M+Na]+ 228.05505 152.4
[M-H]- 204.05855 145.2
[M+NH4]+ 223.09965 162.2
[M+K]+ 244.02899 147.0
[M+H-H2O]+ 188.06309 135.9
[M+HCOO]- 250.06403 159.6
[M+CH3COO]- 264.07968 155.5
[M+Na-2H]- 226.04050 150.1
[M]+ 205.06528 145.1
[M]- 205.06638 145.1
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

No patent data available for this compound.