CID 106901

67845-98-1

Structural Information

Molecular Formula
C21H26O3
SMILES
CCC(C)C(C)CCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C21H26O3/c1-4-15(2)16(3)12-13-24-18-10-11-19(20(22)14-18)21(23)17-8-6-5-7-9-17/h5-11,14-16,22H,4,12-13H2,1-3H3
InChIKey
VJDDEOYUJPSXDO-UHFFFAOYSA-N
Compound name
[4-(3,4-dimethylhexoxy)-2-hydroxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1882 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19548 180.6
[M+Na]+ 349.17742 192.9
[M+NH4]+ 344.22202 187.4
[M+K]+ 365.15136 186.1
[M-H]- 325.18092 183.7
[M+Na-2H]- 347.16287 186.9
[M]+ 326.18765 183.2
[M]- 326.18875 183.2
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

No patent data available for this compound.