CID 101942170

Cis-dihydrohomoanatoxin-a

Structural Information

Molecular Formula
C11H19NO
SMILES
CCC(=O)[C@H]1CCC[C@@H]2CC[C@H]1N2
InChI
InChI=1S/C11H19NO/c1-2-11(13)9-5-3-4-8-6-7-10(9)12-8/h8-10,12H,2-7H2,1H3/t8-,9+,10-/m1/s1
InChIKey
MVXJVRNMGNXROR-KXUCPTDWSA-N
Compound name
1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.15395 140.2
[M+Na]+ 204.13589 143.5
[M-H]- 180.13939 140.9
[M+NH4]+ 199.18049 160.0
[M+K]+ 220.10983 143.7
[M+H-H2O]+ 164.14393 135.0
[M+HCOO]- 226.14487 154.9
[M+CH3COO]- 240.16052 182.5
[M+Na-2H]- 202.12134 142.4
[M]+ 181.14612 132.7
[M]- 181.14722 132.7
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.