CID 167722404

Rac-[(1r,2s,6s,7s)-3-oxa-4-azatricyclo[5.2.1.0,2,6]dec-4-en-5-yl]methanol

Structural Information

Molecular Formula
C9H13NO2
SMILES
C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2ON=C3CO
InChI
InChI=1S/C9H13NO2/c11-4-7-8-5-1-2-6(3-5)9(8)12-10-7/h5-6,8-9,11H,1-4H2/t5-,6+,8-,9-/m1/s1
InChIKey
KDRNBZOUSSTGAC-HSLWUYEYSA-N
Compound name
[(1S,2R,6R,7R)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-en-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09464 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 133.8
[M+Na]+ 190.08386 142.3
[M+NH4]+ 185.12846 143.2
[M+K]+ 206.05780 143.1
[M-H]- 166.08736 134.5
[M+Na-2H]- 188.06931 133.4
[M]+ 167.09409 134.9
[M]- 167.09519 134.9
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.