CID 70700834

6-benzyl-2-oxa-6-azaspiro[3.3]heptane

Structural Information

Molecular Formula
C12H15NO
SMILES
C1C2(CN1CC3=CC=CC=C3)COC2
InChI
InChI=1S/C12H15NO/c1-2-4-11(5-3-1)6-13-7-12(8-13)9-14-10-12/h1-5H,6-10H2
InChIKey
TZPHFPFBMJKZRM-UHFFFAOYSA-N
Compound name
6-benzyl-2-oxa-6-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

189.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 138.0
[M+Na]+ 212.10459 142.0
[M+NH4]+ 207.14919 140.6
[M+K]+ 228.07853 138.1
[M-H]- 188.10809 138.1
[M+Na-2H]- 210.09004 142.3
[M]+ 189.11482 136.6
[M]- 189.11592 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.