CID 13742915

Bis(4-hydroxy-3,5-dimethylphenyl)methanone

Structural Information

Molecular Formula
C17H18O3
SMILES
CC1=CC(=CC(=C1O)C)C(=O)C2=CC(=C(C(=C2)C)O)C
InChI
InChI=1S/C17H18O3/c1-9-5-13(6-10(2)15(9)18)17(20)14-7-11(3)16(19)12(4)8-14/h5-8,18-19H,1-4H3
InChIKey
JWAPUVVSOVJCJB-UHFFFAOYSA-N
Compound name
bis(4-hydroxy-3,5-dimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

895
Patents

270.12558 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.132856 160.3
[M+Na]+ 293.114798 170.1
[M-H]- 269.118304 165.8
[M+NH4]+ 288.159403 176.4
[M+K]+ 309.088738 165.9
[M+H-H2O]+ 253.122840 154.0
[M+HCOO]- 315.123781 180.4
[M+CH3COO]- 329.139431 199.6
[M+Na-2H]- 291.100246 160.5
[M]+ 270.12503142 162.2
[M]- 270.12612858 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe