CID 40769

2-(2,3-dihydroxypropoxy)methylbenzoate

Structural Information

Molecular Formula
C11H14O5
SMILES
COC(=O)C1=CC=CC=C1OCC(CO)O
InChI
InChI=1S/C11H14O5/c1-15-11(14)9-4-2-3-5-10(9)16-7-8(13)6-12/h2-5,8,12-13H,6-7H2,1H3
InChIKey
PJQAOXMMZDKWAJ-UHFFFAOYSA-N
Compound name
methyl 2-(2,3-dihydroxypropoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.08412 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09140 148.8
[M+Na]+ 249.07334 158.6
[M+NH4]+ 244.11794 154.5
[M+K]+ 265.04728 155.1
[M-H]- 225.07684 147.9
[M+Na-2H]- 247.05879 152.4
[M]+ 226.08357 149.5
[M]- 226.08467 149.5
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.