CID 207812

30831-73-3

Structural Information

Molecular Formula
C15H19NO3
SMILES
CCCCOC(=O)N1C(C=CC2=CC=CC=C21)OC
InChI
InChI=1S/C15H19NO3/c1-3-4-11-19-15(17)16-13-8-6-5-7-12(13)9-10-14(16)18-2/h5-10,14H,3-4,11H2,1-2H3
InChIKey
RXUYADHAQWHONV-UHFFFAOYSA-N
Compound name
butyl 2-methoxy-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 160.4
[M+Na]+ 284.125718 167.4
[M-H]- 260.129224 163.1
[M+NH4]+ 279.170323 177.1
[M+K]+ 300.099658 165.0
[M+H-H2O]+ 244.133760 152.7
[M+HCOO]- 306.134701 179.9
[M+CH3COO]- 320.150351 196.8
[M+Na-2H]- 282.111166 165.1
[M]+ 261.13595142 163.9
[M]- 261.13704858 163.9
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.