CID 89238

6-benzyl-1-oxa-6-azaspiro[2.5]octane

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CN(CCC12CO2)CC3=CC=CC=C3
InChI
InChI=1S/C13H17NO/c1-2-4-12(5-3-1)10-14-8-6-13(7-9-14)11-15-13/h1-5H,6-11H2
InChIKey
KJKHFQBTYMJFNP-UHFFFAOYSA-N
Compound name
6-benzyl-1-oxa-6-azaspiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

203.13101 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 150.5
[M+Na]+ 226.12023 165.5
[M+NH4]+ 221.16483 162.1
[M+K]+ 242.09417 157.3
[M-H]- 202.12373 163.7
[M+Na-2H]- 224.10568 162.4
[M]+ 203.13046 157.8
[M]- 203.13156 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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