CID 233220

3-hydroxy-3-phenylbutan-2-one

Structural Information

Molecular Formula
C10H12O2
SMILES
CC(=O)C(C)(C1=CC=CC=C1)O
InChI
InChI=1S/C10H12O2/c1-8(11)10(2,12)9-6-4-3-5-7-9/h3-7,12H,1-2H3
InChIKey
IBWFPYRVHYLXEU-UHFFFAOYSA-N
Compound name
3-hydroxy-3-phenylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

164.08372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 135.0
[M+Na]+ 187.07294 146.7
[M+NH4]+ 182.11754 143.0
[M+K]+ 203.04688 141.7
[M-H]- 163.07644 135.8
[M+Na-2H]- 185.05839 141.5
[M]+ 164.08317 136.9
[M]- 164.08427 136.9
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