CID 120694

Spiro(8-azabicyclo(3.2.1)octane-2,2'-(2h)pyran)-6'(3'h)-one, dihydro-4',8-dimethyl-

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC1CC(=O)OC2(C1)CCC3CCC2N3C
InChI
InChI=1S/C13H21NO2/c1-9-7-12(15)16-13(8-9)6-5-10-3-4-11(13)14(10)2/h9-11H,3-8H2,1-2H3
InChIKey
LFUZKSWYBFTKPB-UHFFFAOYSA-N
Compound name
4',8-dimethylspiro[8-azabicyclo[3.2.1]octane-2,6'-oxane]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 151.6
[M+Na]+ 246.14645 157.9
[M-H]- 222.14995 155.1
[M+NH4]+ 241.19105 173.1
[M+K]+ 262.12039 156.0
[M+H-H2O]+ 206.15449 145.6
[M+HCOO]- 268.15543 164.7
[M+CH3COO]- 282.17108 163.0
[M+Na-2H]- 244.13190 154.7
[M]+ 223.15668 147.1
[M]- 223.15778 147.1
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.