CID 3563668

(8-benzyl-1,4-dioxa-8-aza-spiro[4.5]dec-6-yl)-methanol

Structural Information

Molecular Formula
C15H21NO3
SMILES
C1CN(CC(C12OCCO2)CO)CC3=CC=CC=C3
InChI
InChI=1S/C15H21NO3/c17-12-14-11-16(10-13-4-2-1-3-5-13)7-6-15(14)18-8-9-19-15/h1-5,14,17H,6-12H2
InChIKey
CPBVGVADXUSNKC-UHFFFAOYSA-N
Compound name
(8-benzyl-1,4-dioxa-8-azaspiro[4.5]decan-6-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

263.15213 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 160.8
[M+Na]+ 286.14135 165.4
[M-H]- 262.14485 167.1
[M+NH4]+ 281.18595 176.2
[M+K]+ 302.11529 164.3
[M+H-H2O]+ 246.14939 153.2
[M+HCOO]- 308.15033 175.8
[M+CH3COO]- 322.16598 171.4
[M+Na-2H]- 284.12680 164.9
[M]+ 263.15158 156.9
[M]- 263.15268 156.9
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.