CID 96858903

Rac-(4'ar,8'as)-octahydro-1'h-spiro[1,3-dioxolane-2,6'-quinoline]

Structural Information

Molecular Formula
C11H19NO2
SMILES
C1C[C@@H]2CC3(CC[C@@H]2NC1)OCCO3
InChI
InChI=1S/C11H19NO2/c1-2-9-8-11(13-6-7-14-11)4-3-10(9)12-5-1/h9-10,12H,1-8H2/t9-,10+/m1/s1
InChIKey
FXHLGDMIGLCTEF-ZJUUUORDSA-N
Compound name
(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 144.4
[M+Na]+ 220.130808 147.8
[M-H]- 196.134314 147.6
[M+NH4]+ 215.175413 163.3
[M+K]+ 236.104748 147.2
[M+H-H2O]+ 180.138850 137.8
[M+HCOO]- 242.139791 155.8
[M+CH3COO]- 256.155441 154.8
[M+Na-2H]- 218.116256 149.6
[M]+ 197.14104142 135.6
[M]- 197.14213858 135.6
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.