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

literature stripe

Patent stripe

patents stripe