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
Annotation Hits

0
References

0
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 126.3
[M+Na]+ 212.10459 131.3
[M-H]- 188.10809 133.6
[M+NH4]+ 207.14919 132.6
[M+K]+ 228.07853 135.9
[M+H-H2O]+ 172.11263 111.5
[M+HCOO]- 234.11357 143.9
[M+CH3COO]- 248.12922 193.8
[M+Na-2H]- 210.09004 135.1
[M]+ 189.11482 141.7
[M]- 189.11592 141.7
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

No patent data available for this compound.