CID 6428846

2,3,6,7-tetrahydrocyclopent[b]azepin-8(1h)-one

Structural Information

Molecular Formula
C9H11NO
SMILES
C1CNC2=C(CCC2=O)C=C1
InChI
InChI=1S/C9H11NO/c11-8-5-4-7-3-1-2-6-10-9(7)8/h1,3,10H,2,4-6H2
InChIKey
HGKSXIDVUZUHNI-UHFFFAOYSA-N
Compound name
2,3,6,7-tetrahydro-1H-cyclopenta[b]azepin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 128.0
[M+Na]+ 172.07328 133.9
[M-H]- 148.07678 130.9
[M+NH4]+ 167.11788 148.6
[M+K]+ 188.04722 134.2
[M+H-H2O]+ 132.08132 122.7
[M+HCOO]- 194.08226 147.2
[M+CH3COO]- 208.09791 140.5
[M+Na-2H]- 170.05873 133.3
[M]+ 149.08351 121.3
[M]- 149.08461 121.3
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.