CID 619842

2,2'-methylenebis[4-methyl-6-(hydroxymethyl)phenol]

Structural Information

Molecular Formula
C17H20O4
SMILES
CC1=CC(=C(C(=C1)CO)O)CC2=C(C(=CC(=C2)C)CO)O
InChI
InChI=1S/C17H20O4/c1-10-3-12(16(20)14(5-10)8-18)7-13-4-11(2)6-15(9-19)17(13)21/h3-6,18-21H,7-9H2,1-2H3
InChIKey
BXVXPASMKWYBFD-UHFFFAOYSA-N
Compound name
2-[[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-6-(hydroxymethyl)-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2492
Patents

288.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 166.9
[M+Na]+ 311.12539 175.5
[M-H]- 287.12889 169.4
[M+NH4]+ 306.16999 180.8
[M+K]+ 327.09933 170.3
[M+H-H2O]+ 271.13343 160.5
[M+HCOO]- 333.13437 184.9
[M+CH3COO]- 347.15002 197.0
[M+Na-2H]- 309.11084 167.2
[M]+ 288.13562 167.8
[M]- 288.13672 167.8
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