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]+ 236.08367 149.5
[M+Na]+ 258.06561 165.7
[M+NH4]+ 253.11021 159.3
[M+K]+ 274.03955 157.4
[M-H]- 234.06911 152.8
[M+Na-2H]- 256.05106 157.1
[M]+ 235.07584 153.3
[M]- 235.07694 153.3
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

No patent data available for this compound.