CID 3305216

1-(2,5-dihydroxy-4-methylphenyl)ethanone

Structural Information

Molecular Formula
C9H10O3
SMILES
CC1=CC(=C(C=C1O)C(=O)C)O
InChI
InChI=1S/C9H10O3/c1-5-3-9(12)7(6(2)10)4-8(5)11/h3-4,11-12H,1-2H3
InChIKey
RYZUSWFYHRXXRU-UHFFFAOYSA-N
Compound name
1-(2,5-dihydroxy-4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

166.06299 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.070266 131.4
[M+Na]+ 189.052208 140.8
[M-H]- 165.055714 133.5
[M+NH4]+ 184.096813 151.4
[M+K]+ 205.026148 138.7
[M+H-H2O]+ 149.060250 126.9
[M+HCOO]- 211.061191 152.9
[M+CH3COO]- 225.076841 175.7
[M+Na-2H]- 187.037656 135.5
[M]+ 166.06244142 131.8
[M]- 166.06353858 131.8
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