CID 838868

2-methoxyquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C11H9NO2
SMILES
COC1=NC2=CC=CC=C2C=C1C=O
InChI
InChI=1S/C11H9NO2/c1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h2-7H,1H3
InChIKey
HMZDGMVJEGFPHU-UHFFFAOYSA-N
Compound name
2-methoxyquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

54
Patents

187.06332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.070596 136.5
[M+Na]+ 210.052538 146.6
[M-H]- 186.056044 140.2
[M+NH4]+ 205.097143 156.3
[M+K]+ 226.026478 143.8
[M+H-H2O]+ 170.060580 129.7
[M+HCOO]- 232.061521 159.7
[M+CH3COO]- 246.077171 182.9
[M+Na-2H]- 208.037986 145.6
[M]+ 187.06277142 139.3
[M]- 187.06386858 139.3
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