CID 3061077

78620-89-0

Structural Information

Molecular Formula
C17H23NO2
SMILES
CN(C)CC1C(C2(CCCC2)OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C17H23NO2/c1-18(2)12-14-15(13-8-4-3-5-9-13)17(20-16(14)19)10-6-7-11-17/h3-5,8-9,14-15H,6-7,10-12H2,1-2H3
InChIKey
ZQBJUBIMAQXWLF-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-4-phenyl-1-oxaspiro[4.4]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 165.5
[M+Na]+ 296.16210 175.3
[M+NH4]+ 291.20670 175.8
[M+K]+ 312.13604 170.7
[M-H]- 272.16560 171.8
[M+Na-2H]- 294.14755 172.1
[M]+ 273.17233 168.7
[M]- 273.17343 168.7
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