CID 9819501

2,2-dimethyl-1,3-propanediyl disalicylate

Structural Information

Molecular Formula
C19H20O6
SMILES
CC(C)(COC(=O)C1=CC=CC=C1O)COC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C19H20O6/c1-19(2,11-24-17(22)13-7-3-5-9-15(13)20)12-25-18(23)14-8-4-6-10-16(14)21/h3-10,20-21H,11-12H2,1-2H3
InChIKey
UPOAXWJOHRPRER-UHFFFAOYSA-N
Compound name
[3-(2-hydroxybenzoyl)oxy-2,2-dimethylpropyl] 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

344.12598 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.133256 179.1
[M+Na]+ 367.115198 184.2
[M-H]- 343.118704 182.9
[M+NH4]+ 362.159803 190.5
[M+K]+ 383.089138 181.9
[M+H-H2O]+ 327.123240 171.4
[M+HCOO]- 389.124181 196.7
[M+CH3COO]- 403.139831 206.2
[M+Na-2H]- 365.100646 181.0
[M]+ 344.12543142 182.3
[M]- 344.12652858 182.3
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