CID 71648

5-methoxyresorcinol

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

19
References

1231
Patents

140.04735 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 124.2
[M+Na]+ 163.036568 133.4
[M-H]- 139.040074 126.1
[M+NH4]+ 158.081173 145.0
[M+K]+ 179.010508 131.8
[M+H-H2O]+ 123.044610 119.6
[M+HCOO]- 185.045551 147.2
[M+CH3COO]- 199.061201 168.4
[M+Na-2H]- 161.022016 131.2
[M]+ 140.04680142 124.8
[M]- 140.04789858 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