CID 6428929

3-hydroxy-4-phenylbutan-2-one

Structural Information

Molecular Formula
C10H12O2
SMILES
CC(=O)C(CC1=CC=CC=C1)O
InChI
InChI=1S/C10H12O2/c1-8(11)10(12)7-9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3
InChIKey
QBCUUJGHWFKMDC-UHFFFAOYSA-N
Compound name
3-hydroxy-4-phenylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

419
Patents

164.08372 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 134.9
[M+Na]+ 187.07294 141.2
[M-H]- 163.07644 137.0
[M+NH4]+ 182.11754 154.6
[M+K]+ 203.04688 139.5
[M+H-H2O]+ 147.08098 129.4
[M+HCOO]- 209.08192 156.3
[M+CH3COO]- 223.09757 176.5
[M+Na-2H]- 185.05839 139.6
[M]+ 164.08317 134.2
[M]- 164.08427 134.2
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.