CID 578048

34917-91-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

164.08372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 133.8
[M+Na]+ 187.07294 141.1
[M-H]- 163.07644 136.4
[M+NH4]+ 182.11754 153.9
[M+K]+ 203.04688 139.5
[M+H-H2O]+ 147.08098 128.7
[M+HCOO]- 209.08192 155.3
[M+CH3COO]- 223.09757 177.7
[M+Na-2H]- 185.05839 137.9
[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