CID 212019

23804-73-1

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC1=CC=C(C=C1)CCN2CCC3(CC2)CNC(=O)O3
InChI
InChI=1S/C16H22N2O2/c1-13-2-4-14(5-3-13)6-9-18-10-7-16(8-11-18)12-17-15(19)20-16/h2-5H,6-12H2,1H3,(H,17,19)
InChIKey
OCXNWFSTXWREAN-UHFFFAOYSA-N
Compound name
8-[2-(4-methylphenyl)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

274.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 166.0
[M+Na]+ 297.15734 171.3
[M-H]- 273.16084 170.5
[M+NH4]+ 292.20194 181.2
[M+K]+ 313.13128 167.7
[M+H-H2O]+ 257.16538 157.3
[M+HCOO]- 319.16632 180.2
[M+CH3COO]- 333.18197 175.8
[M+Na-2H]- 295.14279 167.9
[M]+ 274.16757 160.6
[M]- 274.16867 160.6
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.