CID 20148

4-(2,3-dihydroxypropoxy)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

212.06847 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 144.8
[M+Na]+ 235.05769 154.2
[M+NH4]+ 230.10229 150.3
[M+K]+ 251.03163 151.2
[M-H]- 211.06119 143.3
[M+Na-2H]- 233.04314 148.0
[M]+ 212.06792 145.2
[M]- 212.06902 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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