CID 42613

Indeno[2,1-b]pyridin-9-one

Structural Information

Molecular Formula
C12H7NO
SMILES
C1=CC=C2C(=C1)C3=C(C2=O)N=CC=C3
InChI
InChI=1S/C12H7NO/c14-12-10-5-2-1-4-8(10)9-6-3-7-13-11(9)12/h1-7H
InChIKey
CPDVQPDRWLRLIX-UHFFFAOYSA-N
Compound name
indeno[2,1-b]pyridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

181.05276 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06004 134.8
[M+Na]+ 204.04198 146.0
[M-H]- 180.04548 139.7
[M+NH4]+ 199.08658 157.7
[M+K]+ 220.01592 141.6
[M+H-H2O]+ 164.05002 128.5
[M+HCOO]- 226.05096 158.1
[M+CH3COO]- 240.06661 149.5
[M+Na-2H]- 202.02743 143.5
[M]+ 181.05221 136.1
[M]- 181.05331 136.1
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