CID 20472052

3-(2-hydroxy-4-methylphenyl)butan-2-one

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1=CC(=C(C=C1)C(C)C(=O)C)O
InChI
InChI=1S/C11H14O2/c1-7-4-5-10(11(13)6-7)8(2)9(3)12/h4-6,8,13H,1-3H3
InChIKey
YWKYLGVKGIAHDU-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-4-methylphenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

178.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 137.5
[M+Na]+ 201.088598 145.3
[M-H]- 177.092104 140.3
[M+NH4]+ 196.133203 157.4
[M+K]+ 217.062538 143.5
[M+H-H2O]+ 161.096640 132.4
[M+HCOO]- 223.097581 158.6
[M+CH3COO]- 237.113231 181.9
[M+Na-2H]- 199.074046 140.4
[M]+ 178.09883142 138.0
[M]- 178.09992858 138.0
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