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

literature stripe

Patent stripe

patents stripe