CID 2817659

93413-56-0

Structural Information

Molecular Formula
C17H25NO2
SMILES
CN1CC(C2(CCCCC2)OC1)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H25NO2/c1-18-12-16(14-6-8-15(19-2)9-7-14)17(20-13-18)10-4-3-5-11-17/h6-9,16H,3-5,10-13H2,1-2H3
InChIKey
LAMCFGHHGFIVSC-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

275.18854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 167.2
[M+Na]+ 298.17776 171.2
[M-H]- 274.18126 173.7
[M+NH4]+ 293.22236 182.4
[M+K]+ 314.15170 169.2
[M+H-H2O]+ 258.18580 157.8
[M+HCOO]- 320.18674 181.3
[M+CH3COO]- 334.20239 177.0
[M+Na-2H]- 296.16321 170.7
[M]+ 275.18799 161.7
[M]- 275.18909 161.7
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

patents stripe