CID 17039609

892874-65-6

Structural Information

Molecular Formula
C14H15NO2
SMILES
CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)C)C
InChI
InChI=1S/C14H15NO2/c1-4-17-14(16)12-8-11-6-5-9(2)7-13(11)15-10(12)3/h5-8H,4H2,1-3H3
InChIKey
XECUIRQNZBISJF-UHFFFAOYSA-N
Compound name
ethyl 2,7-dimethylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.11028 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 150.6
[M+Na]+ 252.09950 160.1
[M-H]- 228.10300 154.3
[M+NH4]+ 247.14410 169.0
[M+K]+ 268.07344 157.1
[M+H-H2O]+ 212.10754 143.6
[M+HCOO]- 274.10848 171.7
[M+CH3COO]- 288.12413 193.3
[M+Na-2H]- 250.08495 156.2
[M]+ 229.10973 154.2
[M]- 229.11083 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.