CID 78828

2,3-dimethoxyphenol

Structural Information

Molecular Formula
C8H10O3
SMILES
COC1=CC=CC(=C1OC)O
InChI
InChI=1S/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,9H,1-2H3
InChIKey
QSZCGGBDNYTQHH-UHFFFAOYSA-N
Compound name
2,3-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

2851
Patents

154.06299 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 128.0
[M+Na]+ 177.05221 137.3
[M-H]- 153.05571 131.2
[M+NH4]+ 172.09681 149.0
[M+K]+ 193.02615 136.4
[M+H-H2O]+ 137.06025 123.0
[M+HCOO]- 199.06119 152.2
[M+CH3COO]- 213.07684 174.0
[M+Na-2H]- 175.03766 135.0
[M]+ 154.06244 130.9
[M]- 154.06354 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