CID 56773891

3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CC1=C(C=C(C=C1)N2CC3(CCNCC3)OC2=O)C
InChI
InChI=1S/C15H20N2O2/c1-11-3-4-13(9-12(11)2)17-10-15(19-14(17)18)5-7-16-8-6-15/h3-4,9,16H,5-8,10H2,1-2H3
InChIKey
STAAIWVSWVKDSQ-UHFFFAOYSA-N
Compound name
3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 162.1
[M+Na]+ 283.14169 173.9
[M+NH4]+ 278.18629 171.2
[M+K]+ 299.11563 167.7
[M-H]- 259.14519 166.5
[M+Na-2H]- 281.12714 168.3
[M]+ 260.15192 165.0
[M]- 260.15302 165.0
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

No patent data available for this compound.