CID 240925

2,6-dimethoxy-4-methylphenol

Structural Information

Molecular Formula
C9H12O3
SMILES
CC1=CC(=C(C(=C1)OC)O)OC
InChI
InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
InChIKey
ZFBNNSOJNZBLLS-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

232
References

3174
Patents

168.07864 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 132.0
[M+Na]+ 191.06786 141.7
[M-H]- 167.07136 135.4
[M+NH4]+ 186.11246 152.8
[M+K]+ 207.04180 140.7
[M+H-H2O]+ 151.07590 127.0
[M+HCOO]- 213.07684 155.8
[M+CH3COO]- 227.09249 178.2
[M+Na-2H]- 189.05331 137.8
[M]+ 168.07809 135.6
[M]- 168.07919 135.6
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