CID 3022325

2,3-dihydroxypropyl 4-hydroxybenzoate

Structural Information

Molecular Formula
C10H12O5
SMILES
C1=CC(=CC=C1C(=O)OCC(CO)O)O
InChI
InChI=1S/C10H12O5/c11-5-9(13)6-15-10(14)7-1-3-8(12)4-2-7/h1-4,9,11-13H,5-6H2
InChIKey
BJLWPNKOAQTBGT-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12
Patents

212.06847 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.075746 144.3
[M+Na]+ 235.057688 150.4
[M-H]- 211.061194 143.9
[M+NH4]+ 230.102293 160.7
[M+K]+ 251.031628 148.7
[M+H-H2O]+ 195.065730 138.7
[M+HCOO]- 257.066671 163.3
[M+CH3COO]- 271.082321 178.5
[M+Na-2H]- 233.043136 147.3
[M]+ 212.06792142 144.5
[M]- 212.06901858 144.5
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