CID 3024709

3-hydroxy-2,2,4-trimethylvalerophenone

Structural Information

Molecular Formula
C14H20O2
SMILES
CC(C)C(C(C)(C)C(=O)C1=CC=CC=C1)O
InChI
InChI=1S/C14H20O2/c1-10(2)12(15)14(3,4)13(16)11-8-6-5-7-9-11/h5-10,12,15H,1-4H3
InChIKey
NTLHUUOZCDMCSK-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2,4-trimethyl-1-phenylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 152.5
[M+Na]+ 243.13555 162.7
[M+NH4]+ 238.18015 159.6
[M+K]+ 259.10949 158.4
[M-H]- 219.13905 152.7
[M+Na-2H]- 241.12100 157.2
[M]+ 220.14578 153.9
[M]- 220.14688 153.9
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.