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

18
Patents

145.05276 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.060036 121.9
[M+Na]+ 168.041978 129.5
[M-H]- 144.045484 127.1
[M+NH4]+ 163.086583 140.6
[M+K]+ 184.015918 132.3
[M+H-H2O]+ 128.050020 116.7
[M+HCOO]- 190.050961 143.9
[M+CH3COO]- 204.066611 136.0
[M+Na-2H]- 166.027426 133.9
[M]+ 145.05221142 120.1
[M]- 145.05330858 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