CID 12735795

4-methylquinoline-2-carbaldehyde

Structural Information

Molecular Formula
C11H9NO
SMILES
CC1=CC(=NC2=CC=CC=C12)C=O
InChI
InChI=1S/C11H9NO/c1-8-6-9(7-13)12-11-5-3-2-4-10(8)11/h2-7H,1H3
InChIKey
QDUGTKCUWCMWDD-UHFFFAOYSA-N
Compound name
4-methylquinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

171.06842 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 133.1
[M+Na]+ 194.05764 143.4
[M-H]- 170.06114 136.9
[M+NH4]+ 189.10224 153.7
[M+K]+ 210.03158 140.0
[M+H-H2O]+ 154.06568 126.6
[M+HCOO]- 216.06662 156.1
[M+CH3COO]- 230.08227 180.8
[M+Na-2H]- 192.04309 142.3
[M]+ 171.06787 134.5
[M]- 171.06897 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe