CID 198254

49710-99-8

Structural Information

Molecular Formula
C10H12O3
SMILES
CCC(=O)C1=C(C=CC(=C1)OC)O
InChI
InChI=1S/C10H12O3/c1-3-9(11)8-6-7(13-2)4-5-10(8)12/h4-6,12H,3H2,1-2H3
InChIKey
MLDZAGGFWSAWHF-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-5-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

180.07864 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 136.1
[M+Na]+ 203.067858 144.5
[M-H]- 179.071364 139.0
[M+NH4]+ 198.112463 155.9
[M+K]+ 219.041798 143.0
[M+H-H2O]+ 163.075900 130.8
[M+HCOO]- 225.076841 158.8
[M+CH3COO]- 239.092491 180.0
[M+Na-2H]- 201.053306 140.8
[M]+ 180.07809142 138.4
[M]- 180.07918858 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe