CID 56619534

Hydroxy-o-desmethylguaifenesin

Structural Information

Molecular Formula
C9H10O5
SMILES
C1=CC=C(C(=C1)O)OCC(C(=O)O)O
InChI
InChI=1S/C9H10O5/c10-6-3-1-2-4-8(6)14-5-7(11)9(12)13/h1-4,7,10-11H,5H2,(H,12,13)
InChIKey
SDBAJJLASGRMTP-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(2-hydroxyphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

198.05283 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06011 139.4
[M+Na]+ 221.04205 145.9
[M-H]- 197.04555 139.2
[M+NH4]+ 216.08665 156.3
[M+K]+ 237.01599 144.4
[M+H-H2O]+ 181.05009 133.9
[M+HCOO]- 243.05103 158.7
[M+CH3COO]- 257.06668 176.1
[M+Na-2H]- 219.02750 143.0
[M]+ 198.05228 139.3
[M]- 198.05338 139.3
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

patents stripe