CID 81984

2-hydroxy-2-methylpropiophenone

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

7
References

58882
Patents

164.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 134.1
[M+Na]+ 187.07294 141.1
[M-H]- 163.07644 136.5
[M+NH4]+ 182.11754 154.1
[M+K]+ 203.04688 139.4
[M+H-H2O]+ 147.08098 129.2
[M+HCOO]- 209.08192 155.0
[M+CH3COO]- 223.09757 176.0
[M+Na-2H]- 185.05839 140.8
[M]+ 164.08317 133.6
[M]- 164.08427 133.6
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