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]+ 198.14887 144.4
[M+Na]+ 220.13081 147.8
[M-H]- 196.13431 147.6
[M+NH4]+ 215.17541 163.3
[M+K]+ 236.10475 147.2
[M+H-H2O]+ 180.13885 137.8
[M+HCOO]- 242.13979 155.8
[M+CH3COO]- 256.15544 154.8
[M+Na-2H]- 218.11626 149.6
[M]+ 197.14104 135.6
[M]- 197.14214 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.