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

37
Patents

154.06299 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 130.5
[M+Na]+ 177.052208 137.6
[M-H]- 153.055714 130.4
[M+NH4]+ 172.096813 149.6
[M+K]+ 193.026148 135.3
[M+H-H2O]+ 137.060250 125.7
[M+HCOO]- 199.061191 150.6
[M+CH3COO]- 213.076841 168.6
[M+Na-2H]- 175.037656 135.8
[M]+ 154.06244142 128.5
[M]- 154.06353858 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

literature stripe

Patent stripe

patents stripe