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]+ 275.175396 166.0
[M+Na]+ 297.157338 171.3
[M-H]- 273.160844 170.5
[M+NH4]+ 292.201943 181.2
[M+K]+ 313.131278 167.7
[M+H-H2O]+ 257.165380 157.3
[M+HCOO]- 319.166321 180.2
[M+CH3COO]- 333.181971 175.8
[M+Na-2H]- 295.142786 167.9
[M]+ 274.16757142 160.6
[M]- 274.16866858 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.