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]+ 261.159746 161.6
[M+Na]+ 283.141688 168.3
[M-H]- 259.145194 166.7
[M+NH4]+ 278.186293 177.7
[M+K]+ 299.115628 164.9
[M+H-H2O]+ 243.149730 153.4
[M+HCOO]- 305.150671 176.1
[M+CH3COO]- 319.166321 172.2
[M+Na-2H]- 281.127136 163.3
[M]+ 260.15192142 156.3
[M]- 260.15301858 156.3
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.