CID 81029

6,6'-methylenedi-2,4-xylenol

Structural Information

Molecular Formula
C17H20O2
SMILES
CC1=CC(=C(C(=C1)CC2=CC(=CC(=C2O)C)C)O)C
InChI
InChI=1S/C17H20O2/c1-10-5-12(3)16(18)14(7-10)9-15-8-11(2)6-13(4)17(15)19/h5-8,18-19H,9H2,1-4H3
InChIKey
FCIMDZFOYJBMLV-UHFFFAOYSA-N
Compound name
2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1268
Patents

256.14633 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15361 158.8
[M+Na]+ 279.13555 168.8
[M-H]- 255.13905 164.2
[M+NH4]+ 274.18015 175.7
[M+K]+ 295.10949 163.9
[M+H-H2O]+ 239.14359 152.5
[M+HCOO]- 301.14453 179.6
[M+CH3COO]- 315.16018 197.2
[M+Na-2H]- 277.12100 160.1
[M]+ 256.14578 160.6
[M]- 256.14688 160.6
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