CID 83527043

6,8-dimethylquinoline-4-carbaldehyde

Structural Information

Molecular Formula
C12H11NO
SMILES
CC1=CC2=C(C=CN=C2C(=C1)C)C=O
InChI
InChI=1S/C12H11NO/c1-8-5-9(2)12-11(6-8)10(7-14)3-4-13-12/h3-7H,1-2H3
InChIKey
KIWWWXTYVKGWJG-UHFFFAOYSA-N
Compound name
6,8-dimethylquinoline-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08406 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.091336 137.5
[M+Na]+ 208.073278 148.3
[M-H]- 184.076784 141.5
[M+NH4]+ 203.117883 157.8
[M+K]+ 224.047218 144.7
[M+H-H2O]+ 168.081320 131.0
[M+HCOO]- 230.082261 160.2
[M+CH3COO]- 244.097911 185.0
[M+Na-2H]- 206.058726 145.4
[M]+ 185.08351142 139.7
[M]- 185.08460858 139.7
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.