CID 7537486

2-methylquinoline-6-carboxaldehyde

Structural Information

Molecular Formula
C11H9NO
SMILES
CC1=NC2=C(C=C1)C=C(C=C2)C=O
InChI
InChI=1S/C11H9NO/c1-8-2-4-10-6-9(7-13)3-5-11(10)12-8/h2-7H,1H3
InChIKey
WAPQHBBEWPVBTO-UHFFFAOYSA-N
Compound name
2-methylquinoline-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

171.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 133.1
[M+Na]+ 194.057638 143.4
[M-H]- 170.061144 136.9
[M+NH4]+ 189.102243 153.7
[M+K]+ 210.031578 140.0
[M+H-H2O]+ 154.065680 126.6
[M+HCOO]- 216.066621 156.1
[M+CH3COO]- 230.082271 180.8
[M+Na-2H]- 192.043086 142.3
[M]+ 171.06787142 134.5
[M]- 171.06896858 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