CID 6748

Echinopsine

Structural Information

Molecular Formula
C10H9NO
SMILES
CN1C=CC(=O)C2=CC=CC=C21
InChI
InChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
InChIKey
CSJAXRKDCCWCSJ-UHFFFAOYSA-N
Compound name
1-methylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

144
Patents

159.06842 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 128.7
[M+Na]+ 182.05764 139.5
[M-H]- 158.06114 132.7
[M+NH4]+ 177.10224 149.9
[M+K]+ 198.03158 136.3
[M+H-H2O]+ 142.06568 122.4
[M+HCOO]- 204.06662 152.1
[M+CH3COO]- 218.08227 177.9
[M+Na-2H]- 180.04309 138.5
[M]+ 159.06787 129.9
[M]- 159.06897 129.9
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