CID 5314498

2,5-dimethoxyphenol

Structural Information

Molecular Formula
C8H10O3
SMILES
COC1=CC(=C(C=C1)OC)O
InChI
InChI=1S/C8H10O3/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5,9H,1-2H3
InChIKey
KYFBKHRLIHDKPB-UHFFFAOYSA-N
Compound name
2,5-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

717
Patents

154.06299 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 128.0
[M+Na]+ 177.052208 137.3
[M-H]- 153.055714 131.2
[M+NH4]+ 172.096813 149.0
[M+K]+ 193.026148 136.4
[M+H-H2O]+ 137.060250 123.0
[M+HCOO]- 199.061191 152.2
[M+CH3COO]- 213.076841 174.0
[M+Na-2H]- 175.037656 135.0
[M]+ 154.06244142 130.9
[M]- 154.06353858 130.9
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