CID 7503587

1,3-propanediyl disalicylate

Structural Information

Molecular Formula
C17H16O6
SMILES
C1=CC=C(C(=C1)C(=O)OCCCOC(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C17H16O6/c18-14-8-3-1-6-12(14)16(20)22-10-5-11-23-17(21)13-7-2-4-9-15(13)19/h1-4,6-9,18-19H,5,10-11H2
InChIKey
RXRCNOIPYFJQPE-UHFFFAOYSA-N
Compound name
3-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

316.0947 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.101976 170.6
[M+Na]+ 339.083918 176.2
[M-H]- 315.087424 174.5
[M+NH4]+ 334.128523 183.1
[M+K]+ 355.057858 173.7
[M+H-H2O]+ 299.091960 162.6
[M+HCOO]- 361.092901 190.5
[M+CH3COO]- 375.108551 199.8
[M+Na-2H]- 337.069366 172.5
[M]+ 316.09415142 173.5
[M]- 316.09524858 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe