CID 5276287

2-(2-hydroxyethoxy)-1-methyl-quinolin-4-one

Structural Information

Molecular Formula
C12H13NO3
SMILES
CN1C2=CC=CC=C2C(=O)C=C1OCCO
InChI
InChI=1S/C12H13NO3/c1-13-10-5-3-2-4-9(10)11(15)8-12(13)16-7-6-14/h2-5,8,14H,6-7H2,1H3
InChIKey
FFUGEDJCIYDBML-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)-1-methylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 145.1
[M+Na]+ 242.07876 155.2
[M-H]- 218.08226 147.6
[M+NH4]+ 237.12336 163.2
[M+K]+ 258.05270 151.8
[M+H-H2O]+ 202.08680 138.4
[M+HCOO]- 264.08774 166.6
[M+CH3COO]- 278.10339 186.7
[M+Na-2H]- 240.06421 152.5
[M]+ 219.08899 148.3
[M]- 219.09009 148.3
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.