CID 72584

Onychine

Structural Information

Molecular Formula
C13H9NO
SMILES
CC1=C2C(=NC=C1)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H9NO/c1-8-6-7-14-12-9-4-2-3-5-10(9)13(15)11(8)12/h2-7H,1H3
InChIKey
LTVBTVOAUQJJEV-UHFFFAOYSA-N
Compound name
4-methylindeno[1,2-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

33
Patents

195.06842 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07570 139.6
[M+Na]+ 218.05764 151.2
[M-H]- 194.06114 144.7
[M+NH4]+ 213.10224 162.2
[M+K]+ 234.03158 146.6
[M+H-H2O]+ 178.06568 133.3
[M+HCOO]- 240.06662 162.5
[M+CH3COO]- 254.08227 154.2
[M+Na-2H]- 216.04309 147.0
[M]+ 195.06787 141.6
[M]- 195.06897 141.6
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

No patent data available for this compound.