CID 59030642

1006685-98-8

Structural Information

Molecular Formula
C14H19NO3
SMILES
C1CC2(CCC1(CO)C3=CC=CC=N3)OCCO2
InChI
InChI=1S/C14H19NO3/c16-11-13(12-3-1-2-8-15-12)4-6-14(7-5-13)17-9-10-18-14/h1-3,8,16H,4-7,9-11H2
InChIKey
TZTWMFKYZNLPRO-UHFFFAOYSA-N
Compound name
(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

249.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 157.2
[M+Na]+ 272.12571 168.3
[M+NH4]+ 267.17031 168.2
[M+K]+ 288.09965 160.7
[M-H]- 248.12921 163.3
[M+Na-2H]- 270.11116 165.4
[M]+ 249.13594 160.7
[M]- 249.13704 160.7
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