CID 170911820

8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CN(CC2(N1)COC2)CC3=CC=CC=C3
InChI
InChI=1S/C13H18N2O/c1-2-4-12(5-3-1)8-15-7-6-14-13(9-15)10-16-11-13/h1-5,14H,6-11H2
InChIKey
UFSQBGZIVNYVKZ-UHFFFAOYSA-N
Compound name
8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 145.2
[M+Na]+ 241.131118 149.2
[M-H]- 217.134624 149.2
[M+NH4]+ 236.175723 154.4
[M+K]+ 257.105058 149.8
[M+H-H2O]+ 201.139160 131.7
[M+HCOO]- 263.140101 159.3
[M+CH3COO]- 277.155751 155.3
[M+Na-2H]- 239.116566 152.4
[M]+ 218.14135142 147.8
[M]- 218.14244858 147.8
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.