CID 3061081

3-((dimethylamino)methyl)-4-(4-methylphenyl)-1-oxaspiro(4.5)decan-2-one hydrochloride

Structural Information

Molecular Formula
C19H27NO2
SMILES
CC1=CC=C(C=C1)C2C(C(=O)OC23CCCCC3)CN(C)C
InChI
InChI=1S/C19H27NO2/c1-14-7-9-15(10-8-14)17-16(13-20(2)3)18(21)22-19(17)11-5-4-6-12-19/h7-10,16-17H,4-6,11-13H2,1-3H3
InChIKey
BMDDUDHWZFQAGI-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-4-(4-methylphenyl)-1-oxaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.2042 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.21148 174.0
[M+Na]+ 324.19342 184.9
[M+NH4]+ 319.23802 184.2
[M+K]+ 340.16736 177.8
[M-H]- 300.19692 181.0
[M+Na-2H]- 322.17887 180.7
[M]+ 301.20365 177.6
[M]- 301.20475 177.6
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

patents stripe