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]+ 293.13835 166.5
[M+Na]+ 315.12029 170.5
[M-H]- 291.12379 174.2
[M+NH4]+ 310.16489 181.8
[M+K]+ 331.09423 170.4
[M+H-H2O]+ 275.12833 160.0
[M+HCOO]- 337.12927 182.0
[M+CH3COO]- 351.14492 194.3
[M+Na-2H]- 313.10574 169.5
[M]+ 292.13052 164.0
[M]- 292.13162 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.