CID 569815

15116-34-4

Structural Information

Molecular Formula
C12H14O3
SMILES
CC(C)(CC(=O)C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C12H14O3/c1-12(2,11(14)15)8-10(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,15)
InChIKey
IGOADEDHOFTRIG-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-oxo-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

206.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 145.8
[M+Na]+ 229.08352 156.3
[M+NH4]+ 224.12812 152.5
[M+K]+ 245.05746 152.1
[M-H]- 205.08702 145.5
[M+Na-2H]- 227.06897 150.8
[M]+ 206.09375 147.0
[M]- 206.09485 147.0
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