CID 146684698

2,3-epoxyanatoxin-a

Structural Information

Molecular Formula
C10H15NO2
SMILES
CC(=O)C12[C@H]3CC[C@H](N3)CCC1O2
InChI
InChI=1S/C10H15NO2/c1-6(12)10-8-4-2-7(11-8)3-5-9(10)13-10/h7-9,11H,2-5H2,1H3/t7-,8+,9?,10?/m0/s1
InChIKey
MCXUIUWDGATBOF-AFWXGSBKSA-N
Compound name
1-[(1R,7S)-3-oxa-10-azatricyclo[5.2.1.02,4]decan-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 135.9
[M+Na]+ 204.09950 143.2
[M-H]- 180.10300 139.4
[M+NH4]+ 199.14410 152.5
[M+K]+ 220.07344 143.1
[M+H-H2O]+ 164.10754 131.3
[M+HCOO]- 226.10848 149.3
[M+CH3COO]- 240.12413 147.3
[M+Na-2H]- 202.08495 142.0
[M]+ 181.10973 134.1
[M]- 181.11083 134.1
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.