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 160.0
[M-H]- 234.06911 153.1
[M+NH4]+ 253.11021 168.7
[M+K]+ 274.03955 155.4
[M+H-H2O]+ 218.07365 143.5
[M+HCOO]- 280.07459 166.0
[M+CH3COO]- 294.09024 193.5
[M+Na-2H]- 256.05106 155.1
[M]+ 235.07584 154.2
[M]- 235.07694 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.