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 173.4
[M+Na]+ 324.19342 178.0
[M-H]- 300.19692 183.3
[M+NH4]+ 319.23802 191.5
[M+K]+ 340.16736 176.2
[M+H-H2O]+ 284.20146 166.0
[M+HCOO]- 346.20240 192.2
[M+CH3COO]- 360.21805 209.4
[M+Na-2H]- 322.17887 173.7
[M]+ 301.20365 170.7
[M]- 301.20475 170.7
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