CID 57376440

Oxepino[4,5-c]pyridine

Structural Information

Molecular Formula
C9H7NO
SMILES
C1=CN=CC2=C1C=COC=C2
InChI
InChI=1S/C9H7NO/c1-4-10-7-9-3-6-11-5-2-8(1)9/h1-7H
InChIKey
SXLUCYUNXMFXTK-UHFFFAOYSA-N
Compound name
oxepino[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

145.05276 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06004 121.9
[M+Na]+ 168.04198 129.5
[M-H]- 144.04548 127.1
[M+NH4]+ 163.08658 140.6
[M+K]+ 184.01592 132.3
[M+H-H2O]+ 128.05002 116.7
[M+HCOO]- 190.05096 143.9
[M+CH3COO]- 204.06661 136.0
[M+Na-2H]- 166.02743 133.9
[M]+ 145.05221 120.1
[M]- 145.05331 120.1
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

patents stripe