CID 9813100

101649-40-5

Structural Information

Molecular Formula
C13H16O2
SMILES
CC(=C)C1=CC=C(C=C1)C(=O)C(C)(C)O
InChI
InChI=1S/C13H16O2/c1-9(2)10-5-7-11(8-6-10)12(14)13(3,4)15/h5-8,15H,1H2,2-4H3
InChIKey
IJBSPUKPEDBNKQ-UHFFFAOYSA-N
Compound name
2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3423
Patents

204.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 145.0
[M+Na]+ 227.104258 151.8
[M-H]- 203.107764 147.5
[M+NH4]+ 222.148863 163.6
[M+K]+ 243.078198 149.3
[M+H-H2O]+ 187.112300 140.1
[M+HCOO]- 249.113241 164.2
[M+CH3COO]- 263.128891 186.2
[M+Na-2H]- 225.089706 148.4
[M]+ 204.11449142 144.7
[M]- 204.11558858 144.7
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

patents stripe