CID 735347

6-isobutoxy-2-methylquinolin-4-ol

Structural Information

Molecular Formula
C14H17NO2
SMILES
CC1=CC(=O)C2=C(N1)C=CC(=C2)OCC(C)C
InChI
InChI=1S/C14H17NO2/c1-9(2)8-17-11-4-5-13-12(7-11)14(16)6-10(3)15-13/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKey
UPQHKWQRXLZGPQ-UHFFFAOYSA-N
Compound name
2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 151.4
[M+Na]+ 254.11515 160.4
[M-H]- 230.11865 153.7
[M+NH4]+ 249.15975 169.0
[M+K]+ 270.08909 156.5
[M+H-H2O]+ 214.12319 144.7
[M+HCOO]- 276.12413 171.0
[M+CH3COO]- 290.13978 191.5
[M+Na-2H]- 252.10060 156.5
[M]+ 231.12538 153.3
[M]- 231.12648 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.