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 156.0
[M+Na]+ 272.12571 161.2
[M-H]- 248.12921 162.5
[M+NH4]+ 267.17031 173.7
[M+K]+ 288.09965 160.7
[M+H-H2O]+ 232.13375 148.7
[M+HCOO]- 294.13469 171.4
[M+CH3COO]- 308.15034 167.1
[M+Na-2H]- 270.11116 162.4
[M]+ 249.13594 151.8
[M]- 249.13704 151.8
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