CID 63561480

4-chloro-2-ethyl-3-methylquinoline

Structural Information

Molecular Formula
C12H12ClN
SMILES
CCC1=NC2=CC=CC=C2C(=C1C)Cl
InChI
InChI=1S/C12H12ClN/c1-3-10-8(2)12(13)9-6-4-5-7-11(9)14-10/h4-7H,3H2,1-2H3
InChIKey
MHCSKCJYHHSWSR-UHFFFAOYSA-N
Compound name
4-chloro-2-ethyl-3-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.06583 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.073106 141.8
[M+Na]+ 228.055048 153.1
[M-H]- 204.058554 145.4
[M+NH4]+ 223.099653 162.3
[M+K]+ 244.028988 147.7
[M+H-H2O]+ 188.063090 136.0
[M+HCOO]- 250.064031 159.4
[M+CH3COO]- 264.079681 155.7
[M+Na-2H]- 226.040496 149.1
[M]+ 205.06528142 145.2
[M]- 205.06637858 145.2
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.