CID 3034748

Anatoxin-a

Structural Information

Molecular Formula
C10H15NO
SMILES
CC(=O)C1=CCC[C@@H]2CC[C@H]1N2
InChI
InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1
InChIKey
SGNXVBOIDPPRJJ-PSASIEDQSA-N
Compound name
1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

152
References

1500
Patents

165.11537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 134.1
[M+Na]+ 188.10459 138.9
[M-H]- 164.10809 135.4
[M+NH4]+ 183.14919 154.7
[M+K]+ 204.07853 139.3
[M+H-H2O]+ 148.11263 129.3
[M+HCOO]- 210.11357 150.6
[M+CH3COO]- 224.12922 179.2
[M+Na-2H]- 186.09004 137.9
[M]+ 165.11482 127.8
[M]- 165.11592 127.8
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.