CID 23248676

4s-hydroxyhomoanatoxin-a

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCC(=O)C1=C[C@H](C[C@@H]2CC[C@H]1N2)O
InChI
InChI=1S/C11H17NO2/c1-2-11(14)9-6-8(13)5-7-3-4-10(9)12-7/h6-8,10,12-13H,2-5H2,1H3/t7-,8-,10+/m0/s1
InChIKey
GUFZEUUNFPNBSR-OYNCUSHFSA-N
Compound name
1-[(1R,4S,6S)-4-hydroxy-9-azabicyclo[4.2.1]non-2-en-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 142.0
[M+Na]+ 218.11515 146.7
[M-H]- 194.11865 142.2
[M+NH4]+ 213.15975 161.0
[M+K]+ 234.08909 146.9
[M+H-H2O]+ 178.12319 137.3
[M+HCOO]- 240.12413 156.9
[M+CH3COO]- 254.13978 182.7
[M+Na-2H]- 216.10060 144.3
[M]+ 195.12538 136.0
[M]- 195.12648 136.0
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.