CID 3015071

Methoquin-butyl

Structural Information

Molecular Formula
C15H17NO2
SMILES
CCCCOC(=O)C1=C(C=NC2=CC=CC=C21)C
InChI
InChI=1S/C15H17NO2/c1-3-4-9-18-15(17)14-11(2)10-16-13-8-6-5-7-12(13)14/h5-8,10H,3-4,9H2,1-2H3
InChIKey
HBVUDJVVVFGZMB-UHFFFAOYSA-N
Compound name
butyl 3-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3144
Patents

243.12593 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.133206 155.8
[M+Na]+ 266.115148 163.9
[M-H]- 242.118654 158.9
[M+NH4]+ 261.159753 173.3
[M+K]+ 282.089088 160.6
[M+H-H2O]+ 226.123190 148.3
[M+HCOO]- 288.124131 176.6
[M+CH3COO]- 302.139781 195.1
[M+Na-2H]- 264.100596 161.4
[M]+ 243.12538142 159.3
[M]- 243.12647858 159.3
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

patents stripe