CID 118989108

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

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CN(C2(CN1)COC2)CC3=CC=CC=C3
InChI
InChI=1S/C13H18N2O/c1-2-4-12(5-3-1)8-15-7-6-14-9-13(15)10-16-11-13/h1-5,14H,6-11H2
InChIKey
VJZZRGAIUAOOMC-UHFFFAOYSA-N
Compound name
5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

218.1419 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 145.2
[M+Na]+ 241.13112 149.2
[M-H]- 217.13462 149.2
[M+NH4]+ 236.17572 154.4
[M+K]+ 257.10506 149.8
[M+H-H2O]+ 201.13916 131.7
[M+HCOO]- 263.14010 159.3
[M+CH3COO]- 277.15575 155.3
[M+Na-2H]- 239.11657 152.4
[M]+ 218.14135 147.8
[M]- 218.14245 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

patents stripe