CID 6445153

23804-85-5

Structural Information

Molecular Formula
C16H20N2O2
SMILES
C1CN(CCC12CNC(=O)O2)/C=C/CC3=CC=CC=C3
InChI
InChI=1S/C16H20N2O2/c19-15-17-13-16(20-15)8-11-18(12-9-16)10-4-7-14-5-2-1-3-6-14/h1-6,10H,7-9,11-13H2,(H,17,19)/b10-4+
InChIKey
ZFMRMZYRWDKVSB-ONNFQVAWSA-N
Compound name
8-[(E)-3-phenylprop-1-enyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 165.4
[M+Na]+ 295.14169 170.1
[M-H]- 271.14519 169.5
[M+NH4]+ 290.18629 180.2
[M+K]+ 311.11563 166.0
[M+H-H2O]+ 255.14973 156.4
[M+HCOO]- 317.15067 179.8
[M+CH3COO]- 331.16632 174.9
[M+Na-2H]- 293.12714 167.9
[M]+ 272.15192 158.7
[M]- 272.15302 158.7
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

No patent data available for this compound.