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]+ 196.133206 142.0
[M+Na]+ 218.115148 146.7
[M-H]- 194.118654 142.2
[M+NH4]+ 213.159753 161.0
[M+K]+ 234.089088 146.9
[M+H-H2O]+ 178.123190 137.3
[M+HCOO]- 240.124131 156.9
[M+CH3COO]- 254.139781 182.7
[M+Na-2H]- 216.100596 144.3
[M]+ 195.12538142 136.0
[M]- 195.12647858 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.