CID 730934

6-ethoxy-2-methyl-4-quinolinol

Structural Information

Molecular Formula
C12H13NO2
SMILES
CCOC1=CC2=C(C=C1)NC(=CC2=O)C
InChI
InChI=1S/C12H13NO2/c1-3-15-9-4-5-11-10(7-9)12(14)6-8(2)13-11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKey
XRQJZFPDCHMABR-UHFFFAOYSA-N
Compound name
6-ethoxy-2-methyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

4
Patents

203.09464 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 142.0
[M+Na]+ 226.08386 152.2
[M-H]- 202.08736 144.6
[M+NH4]+ 221.12846 160.9
[M+K]+ 242.05780 148.2
[M+H-H2O]+ 186.09190 135.6
[M+HCOO]- 248.09284 163.3
[M+CH3COO]- 262.10849 184.6
[M+Na-2H]- 224.06931 149.4
[M]+ 203.09409 143.8
[M]- 203.09519 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe