CID 3849318

2,3-dihydroxypropyl salicylate

Structural Information

Molecular Formula
C10H12O5
SMILES
C1=CC=C(C(=C1)C(=O)OCC(CO)O)O
InChI
InChI=1S/C10H12O5/c11-5-7(12)6-15-10(14)8-3-1-2-4-9(8)13/h1-4,7,11-13H,5-6H2
InChIKey
OGFSIPREEZAEMY-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

368
Patents

212.06847 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 144.9
[M+Na]+ 235.05769 154.4
[M+NH4]+ 230.10229 150.5
[M+K]+ 251.03163 151.4
[M-H]- 211.06119 143.5
[M+Na-2H]- 233.04314 148.2
[M]+ 212.06792 145.4
[M]- 212.06902 145.4
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