CID 10741

530-56-3

Structural Information

Molecular Formula
C9H12O4
SMILES
COC1=CC(=CC(=C1O)OC)CO
InChI
InChI=1S/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3
InChIKey
LUOAEJWSKPQLJD-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

750
Patents

184.07356 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 135.9
[M+Na]+ 207.062778 145.0
[M-H]- 183.066284 137.7
[M+NH4]+ 202.107383 155.1
[M+K]+ 223.036718 143.5
[M+H-H2O]+ 167.070820 130.7
[M+HCOO]- 229.071761 158.3
[M+CH3COO]- 243.087411 177.8
[M+Na-2H]- 205.048226 141.1
[M]+ 184.07301142 139.0
[M]- 184.07410858 139.0
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