CID 22693554

4-chloro-2-methyl-6-(propan-2-yloxy)quinoline

Structural Information

Molecular Formula
C13H14ClNO
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC(C)C)Cl
InChI
InChI=1S/C13H14ClNO/c1-8(2)16-10-4-5-13-11(7-10)12(14)6-9(3)15-13/h4-8H,1-3H3
InChIKey
LSUCFUOMBWNQKW-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-6-propan-2-yloxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.07639 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.083666 149.5
[M+Na]+ 258.065608 160.0
[M-H]- 234.069114 153.1
[M+NH4]+ 253.110213 168.7
[M+K]+ 274.039548 155.4
[M+H-H2O]+ 218.073650 143.5
[M+HCOO]- 280.074591 166.0
[M+CH3COO]- 294.090241 193.5
[M+Na-2H]- 256.051056 155.1
[M]+ 235.07584142 154.2
[M]- 235.07693858 154.2
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.