CID 71419096

4-oxohomoanatoxin-a

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCC(=O)C1=CC(=O)C[C@@H]2CC[C@H]1N2
InChI
InChI=1S/C11H15NO2/c1-2-11(14)9-6-8(13)5-7-3-4-10(9)12-7/h6-7,10,12H,2-5H2,1H3/t7-,10+/m0/s1
InChIKey
OQSWFCINTWWZIB-OIBJUYFYSA-N
Compound name
(1S,6R)-5-propanoyl-9-azabicyclo[4.2.1]non-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 140.2
[M+Na]+ 216.09950 145.6
[M-H]- 192.10300 141.7
[M+NH4]+ 211.14410 159.9
[M+K]+ 232.07344 146.0
[M+H-H2O]+ 176.10754 135.4
[M+HCOO]- 238.10848 156.7
[M+CH3COO]- 252.12413 184.3
[M+Na-2H]- 214.08495 142.9
[M]+ 193.10973 135.3
[M]- 193.11083 135.3
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

No patent data available for this compound.