CID 16782740

7-(benzyloxy)-1,4-dioxaspiro[4.5]decan-8-amine

Structural Information

Molecular Formula
C15H21NO3
SMILES
C1CC2(CC(C1N)OCC3=CC=CC=C3)OCCO2
InChI
InChI=1S/C15H21NO3/c16-13-6-7-15(18-8-9-19-15)10-14(13)17-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11,16H2
InChIKey
BJBTZUJRKVTZDI-UHFFFAOYSA-N
Compound name
7-phenylmethoxy-1,4-dioxaspiro[4.5]decan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 160.2
[M+Na]+ 286.14135 164.4
[M-H]- 262.14485 168.7
[M+NH4]+ 281.18595 177.1
[M+K]+ 302.11529 163.8
[M+H-H2O]+ 246.14939 153.2
[M+HCOO]- 308.15033 178.4
[M+CH3COO]- 322.16598 171.4
[M+Na-2H]- 284.12680 164.5
[M]+ 263.15158 156.1
[M]- 263.15268 156.1
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.