CID 587766

4-methoxybenzene-1,2-diol

Structural Information

Molecular Formula
C7H8O3
SMILES
COC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C7H8O3/c1-10-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
InChIKey
JXZABYGWFNGNLB-UHFFFAOYSA-N
Compound name
4-methoxybenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

413
Patents

140.04735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 124.2
[M+Na]+ 163.03657 133.4
[M-H]- 139.04007 126.1
[M+NH4]+ 158.08117 145.0
[M+K]+ 179.01051 131.8
[M+H-H2O]+ 123.04461 119.6
[M+HCOO]- 185.04555 147.2
[M+CH3COO]- 199.06120 168.4
[M+Na-2H]- 161.02202 131.2
[M]+ 140.04680 124.8
[M]- 140.04790 124.8
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