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]+ 150.091336 128.0
[M+Na]+ 172.073278 133.9
[M-H]- 148.076784 130.9
[M+NH4]+ 167.117883 148.6
[M+K]+ 188.047218 134.2
[M+H-H2O]+ 132.081320 122.7
[M+HCOO]- 194.082261 147.2
[M+CH3COO]- 208.097911 140.5
[M+Na-2H]- 170.058726 133.3
[M]+ 149.08351142 121.3
[M]- 149.08460858 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.