CID 21818205

8-methylquinoline-6-carbaldehyde

Structural Information

Molecular Formula
C11H9NO
SMILES
CC1=CC(=CC2=C1N=CC=C2)C=O
InChI
InChI=1S/C11H9NO/c1-8-5-9(7-13)6-10-3-2-4-12-11(8)10/h2-7H,1H3
InChIKey
DTSDFNFJBGCBTQ-UHFFFAOYSA-N
Compound name
8-methylquinoline-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

171.06842 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe