CID 10805

Methoxyhydroxyphenylglycol

Structural Information

Molecular Formula
C9H12O4
SMILES
COC1=C(C=CC(=C1)C(CO)O)O
InChI
InChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3
InChIKey
FBWPWWWZWKPJFL-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3320
References

1163
Patents

184.07356 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 137.4
[M+Na]+ 207.062778 144.9
[M-H]- 183.066284 137.5
[M+NH4]+ 202.107383 155.5
[M+K]+ 223.036718 143.0
[M+H-H2O]+ 167.070820 132.3
[M+HCOO]- 229.071761 157.3
[M+CH3COO]- 243.087411 175.0
[M+Na-2H]- 205.048226 141.5
[M]+ 184.07301142 137.6
[M]- 184.07410858 137.6
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