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 161.6
[M+Na]+ 283.14169 168.3
[M-H]- 259.14519 166.7
[M+NH4]+ 278.18629 177.7
[M+K]+ 299.11563 164.9
[M+H-H2O]+ 243.14973 153.4
[M+HCOO]- 305.15067 176.1
[M+CH3COO]- 319.16632 172.2
[M+Na-2H]- 281.12714 163.3
[M]+ 260.15192 156.3
[M]- 260.15302 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.