CID 3042528

1,4-dioxaspiro(4.5)dec-2-ylmethyl 2-hydroxybenzoate

Structural Information

Molecular Formula
C16H20O5
SMILES
C1CCC2(CC1)OCC(O2)COC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C16H20O5/c17-14-7-3-2-6-13(14)15(18)19-10-12-11-20-16(21-12)8-4-1-5-9-16/h2-3,6-7,12,17H,1,4-5,8-11H2
InChIKey
IGVQTQOASBTUOX-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decan-3-ylmethyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.13107 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.138346 166.5
[M+Na]+ 315.120288 170.5
[M-H]- 291.123794 174.2
[M+NH4]+ 310.164893 181.8
[M+K]+ 331.094228 170.4
[M+H-H2O]+ 275.128330 160.0
[M+HCOO]- 337.129271 182.0
[M+CH3COO]- 351.144921 194.3
[M+Na-2H]- 313.105736 169.5
[M]+ 292.13052142 164.0
[M]- 292.13161858 164.0
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.