CID 90437598

M-hydroxyphenylglycol

Structural Information

Molecular Formula
C8H10O3
SMILES
C1=CC(=CC(=C1)O)[C@H](CO)O
InChI
InChI=1S/C8H10O3/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8-11H,5H2/t8-/m0/s1
InChIKey
AQAVPIJUJIGGGG-QMMMGPOBSA-N
Compound name
(1R)-1-(3-hydroxyphenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

154.06299 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.5
[M+Na]+ 177.05221 137.6
[M-H]- 153.05571 130.4
[M+NH4]+ 172.09681 149.6
[M+K]+ 193.02615 135.3
[M+H-H2O]+ 137.06025 125.7
[M+HCOO]- 199.06119 150.6
[M+CH3COO]- 213.07684 168.6
[M+Na-2H]- 175.03766 135.8
[M]+ 154.06244 128.5
[M]- 154.06354 128.5
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

patents stripe