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

11
Patents

263.15213 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 160.8
[M+Na]+ 286.141348 165.4
[M-H]- 262.144854 167.1
[M+NH4]+ 281.185953 176.2
[M+K]+ 302.115288 164.3
[M+H-H2O]+ 246.149390 153.2
[M+HCOO]- 308.150331 175.8
[M+CH3COO]- 322.165981 171.4
[M+Na-2H]- 284.126796 164.9
[M]+ 263.15158142 156.9
[M]- 263.15267858 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

patents stripe