CID 11084743

3-hydroxy-3-methyl-4-phenoxybutan-2-one

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(=O)C(C)(COC1=CC=CC=C1)O
InChI
InChI=1S/C11H14O3/c1-9(12)11(2,13)8-14-10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
InChIKey
VXVKFKSOGKOLOU-UHFFFAOYSA-N
Compound name
3-hydroxy-3-methyl-4-phenoxybutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

194.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.1
[M+Na]+ 217.08352 148.6
[M-H]- 193.08702 144.3
[M+NH4]+ 212.12812 160.7
[M+K]+ 233.05746 147.2
[M+H-H2O]+ 177.09156 136.7
[M+HCOO]- 239.09250 162.8
[M+CH3COO]- 253.10815 181.0
[M+Na-2H]- 215.06897 148.3
[M]+ 194.09375 143.4
[M]- 194.09485 143.4
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