CID 145874794

Rac-(1r,2r,6s,7r)-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.1.0,2,6]decane hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC1(O[C@@H]2[C@@H]3C[C@H]([C@@H]2O1)NC3)C
InChI
InChI=1S/C9H15NO2/c1-9(2)11-7-5-3-6(10-4-5)8(7)12-9/h5-8,10H,3-4H2,1-2H3/t5-,6-,7-,8+/m1/s1
InChIKey
XAGZYLOUJUBNDM-XUTVFYLZSA-N
Compound name
(1R,2R,6S,7R)-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 136.4
[M+Na]+ 192.09950 145.0
[M-H]- 168.10300 139.0
[M+NH4]+ 187.14410 162.2
[M+K]+ 208.07344 144.6
[M+H-H2O]+ 152.10754 133.9
[M+HCOO]- 214.10848 152.5
[M+CH3COO]- 228.12413 149.9
[M+Na-2H]- 190.08495 140.4
[M]+ 169.10973 136.2
[M]- 169.11083 136.2
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.