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]+ 190.122646 126.3
[M+Na]+ 212.104588 131.3
[M-H]- 188.108094 133.6
[M+NH4]+ 207.149193 132.6
[M+K]+ 228.078528 135.9
[M+H-H2O]+ 172.112630 111.5
[M+HCOO]- 234.113571 143.9
[M+CH3COO]- 248.129221 193.8
[M+Na-2H]- 210.090036 135.1
[M]+ 189.11482142 141.7
[M]- 189.11591858 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.