CID 4057370

1-(4-hydroxy-2,6-dimethylphenyl)ethanone

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=CC(=CC(=C1C(=O)C)C)O
InChI
InChI=1S/C10H12O2/c1-6-4-9(12)5-7(2)10(6)8(3)11/h4-5,12H,1-3H3
InChIKey
IRGVMVPBEQQZEQ-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-2,6-dimethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

164.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 133.8
[M+Na]+ 187.07294 147.0
[M+NH4]+ 182.11754 142.0
[M+K]+ 203.04688 141.3
[M-H]- 163.07644 135.4
[M+Na-2H]- 185.05839 139.8
[M]+ 164.08317 136.1
[M]- 164.08427 136.1
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

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