CID 446140

4-hydroperoxy-2-methoxy-phenol

Structural Information

Molecular Formula
C7H8O4
SMILES
COC1=C(C=CC(=C1)OO)O
InChI
InChI=1S/C7H8O4/c1-10-7-4-5(11-9)2-3-6(7)8/h2-4,8-9H,1H3
InChIKey
DNBCLSZROQUYQN-UHFFFAOYSA-N
Compound name
4-hydroperoxy-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

156.04225 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04953 127.1
[M+Na]+ 179.03147 136.1
[M-H]- 155.03497 128.9
[M+NH4]+ 174.07607 147.1
[M+K]+ 195.00541 135.1
[M+H-H2O]+ 139.03951 122.1
[M+HCOO]- 201.04045 150.2
[M+CH3COO]- 215.05610 170.5
[M+Na-2H]- 177.01692 134.1
[M]+ 156.04170 129.1
[M]- 156.04280 129.1
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