CID 165751307

6-(benzyloxy)-1-azaspiro[3.3]heptanehydrochloride

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CNC12CC(C2)OCC3=CC=CC=C3
InChI
InChI=1S/C13H17NO/c1-2-4-11(5-3-1)10-15-12-8-13(9-12)6-7-14-13/h1-5,12,14H,6-10H2
InChIKey
UFZHPRPTQBRTNP-UHFFFAOYSA-N
Compound name
6-phenylmethoxy-1-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 135.9
[M+Na]+ 226.12023 140.0
[M-H]- 202.12373 141.1
[M+NH4]+ 221.16483 142.0
[M+K]+ 242.09417 142.5
[M+H-H2O]+ 186.12827 120.8
[M+HCOO]- 248.12921 152.5
[M+CH3COO]- 262.14486 194.2
[M+Na-2H]- 224.10568 142.5
[M]+ 203.13046 149.4
[M]- 203.13156 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.