CID 166971

Dimethoxy di-p-cresol

Structural Information

Molecular Formula
C16H18O4
SMILES
CC1=CC(=C(C(=C1)OC)O)C2=C(C(=CC(=C2)C)OC)O
InChI
InChI=1S/C16H18O4/c1-9-5-11(15(17)13(7-9)19-3)12-6-10(2)8-14(20-4)16(12)18/h5-8,17-18H,1-4H3
InChIKey
QXKAEQCGFVTAMN-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-3-methoxy-5-methylphenyl)-6-methoxy-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

117
Patents

274.1205 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12778 160.9
[M+Na]+ 297.10972 170.9
[M-H]- 273.11322 166.4
[M+NH4]+ 292.15432 176.9
[M+K]+ 313.08366 167.6
[M+H-H2O]+ 257.11776 154.2
[M+HCOO]- 319.11870 182.3
[M+CH3COO]- 333.13435 198.6
[M+Na-2H]- 295.09517 162.8
[M]+ 274.11995 165.2
[M]- 274.12105 165.2
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