CID 97641

2,5-dimethoxybenzene-1,4-diol

Structural Information

Molecular Formula
C8H10O4
SMILES
COC1=CC(=C(C=C1O)OC)O
InChI
InChI=1S/C8H10O4/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4,9-10H,1-2H3
InChIKey
GLJCPHKWYYCHCQ-UHFFFAOYSA-N
Compound name
2,5-dimethoxybenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

401
Patents

170.0579 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 131.2
[M+Na]+ 193.04712 140.8
[M-H]- 169.05062 133.2
[M+NH4]+ 188.09172 151.0
[M+K]+ 209.02106 139.5
[M+H-H2O]+ 153.05516 126.3
[M+HCOO]- 215.05610 154.0
[M+CH3COO]- 229.07175 174.8
[M+Na-2H]- 191.03257 136.9
[M]+ 170.05735 134.0
[M]- 170.05845 134.0
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