CID 3059013

3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one

Structural Information

Molecular Formula
C17H18O2
SMILES
CC(C)(C(C1=CC=CC=C1)O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H18O2/c1-17(2,15(18)13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3
InChIKey
DEOOQAQBZGVGIV-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.137956 159.2
[M+Na]+ 277.119898 164.2
[M-H]- 253.123404 164.1
[M+NH4]+ 272.164503 174.9
[M+K]+ 293.093838 160.7
[M+H-H2O]+ 237.127940 152.3
[M+HCOO]- 299.128881 178.1
[M+CH3COO]- 313.144531 193.7
[M+Na-2H]- 275.105346 163.6
[M]+ 254.13013142 157.9
[M]- 254.13122858 157.9
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.