CID 638759

3-hydroxy-1-(4-hydroxyphenyl)-1-propanone

Structural Information

Molecular Formula
C9H10O3
SMILES
C1=CC(=CC=C1C(=O)CCO)O
InChI
InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
InChIKey
LTEPZFZSPZASKJ-UHFFFAOYSA-N
Compound name
3-hydroxy-1-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

50
Patents

166.06299 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.070266 133.1
[M+Na]+ 189.052208 140.5
[M-H]- 165.055714 134.3
[M+NH4]+ 184.096813 152.3
[M+K]+ 205.026148 138.3
[M+H-H2O]+ 149.060250 127.9
[M+HCOO]- 211.061191 154.5
[M+CH3COO]- 225.076841 173.3
[M+Na-2H]- 187.037656 138.4
[M]+ 166.06244142 132.6
[M]- 166.06353858 132.6
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