CID 9879500

1172134-12-1

Structural Information

Molecular Formula
C18H25NO3
SMILES
CC1=CC(=C(C=C1)C)C2C(C3(CCC(CC3)OC)NC2=O)O
InChI
InChI=1S/C18H25NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,15-16,20H,6-9H2,1-3H3,(H,19,21)
InChIKey
HPQGJNTUXNUIDL-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

303.18344 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 173.8
[M+Na]+ 326.17266 184.5
[M+NH4]+ 321.21726 182.4
[M+K]+ 342.14660 178.3
[M-H]- 302.17616 176.8
[M+Na-2H]- 324.15811 178.8
[M]+ 303.18289 176.1
[M]- 303.18399 176.1
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

patents stripe