CID 11194805

5-benzyl-1-oxa-5-azaspiro[2.4]heptane

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CN(CC12CO2)CC3=CC=CC=C3
InChI
InChI=1S/C12H15NO/c1-2-4-11(5-3-1)8-13-7-6-12(9-13)10-14-12/h1-5H,6-10H2
InChIKey
WRAHFEWSPIEFTP-UHFFFAOYSA-N
Compound name
6-benzyl-1-oxa-6-azaspiro[2.4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

189.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 142.8
[M+Na]+ 212.10459 151.8
[M-H]- 188.10809 151.3
[M+NH4]+ 207.14919 158.7
[M+K]+ 228.07853 150.5
[M+H-H2O]+ 172.11263 135.8
[M+HCOO]- 234.11357 163.7
[M+CH3COO]- 248.12922 155.9
[M+Na-2H]- 210.09004 149.7
[M]+ 189.11482 143.8
[M]- 189.11592 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe