CID 212021

23804-74-2

Structural Information

Molecular Formula
C16H22N2O3
SMILES
COC1=CC=C(C=C1)CCN2CCC3(CC2)CNC(=O)O3
InChI
InChI=1S/C16H22N2O3/c1-20-14-4-2-13(3-5-14)6-9-18-10-7-16(8-11-18)12-17-15(19)21-16/h2-5H,6-12H2,1H3,(H,17,19)
InChIKey
HHGFYVSMRMWNLG-UHFFFAOYSA-N
Compound name
8-[2-(4-methoxyphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.170336 168.7
[M+Na]+ 313.152278 173.8
[M-H]- 289.155784 173.1
[M+NH4]+ 308.196883 183.0
[M+K]+ 329.126218 170.8
[M+H-H2O]+ 273.160320 159.8
[M+HCOO]- 335.161261 183.0
[M+CH3COO]- 349.176911 178.3
[M+Na-2H]- 311.137726 170.7
[M]+ 290.16251142 164.7
[M]- 290.16360858 164.7
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.