CID 12699834

8-ethylquinoline-2-carbaldehyde

Structural Information

Molecular Formula
C12H11NO
SMILES
CCC1=CC=CC2=C1N=C(C=C2)C=O
InChI
InChI=1S/C12H11NO/c1-2-9-4-3-5-10-6-7-11(8-14)13-12(9)10/h3-8H,2H2,1H3
InChIKey
PINCBNHEGPSKFB-UHFFFAOYSA-N
Compound name
8-ethylquinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

185.08406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 137.9
[M+Na]+ 208.07328 147.7
[M-H]- 184.07678 141.4
[M+NH4]+ 203.11788 157.8
[M+K]+ 224.04722 144.0
[M+H-H2O]+ 168.08132 131.1
[M+HCOO]- 230.08226 160.5
[M+CH3COO]- 244.09791 183.9
[M+Na-2H]- 206.05873 146.5
[M]+ 185.08351 139.6
[M]- 185.08461 139.6
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