CID 17262

2503-46-0

Structural Information

Molecular Formula
C10H12O3
SMILES
CC(=O)CC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C10H12O3/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6,12H,5H2,1-2H3
InChIKey
LFVCJQWZGDLHSD-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

264
Patents

180.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.1
[M+Na]+ 203.06786 144.5
[M-H]- 179.07136 139.0
[M+NH4]+ 198.11246 155.9
[M+K]+ 219.04180 143.0
[M+H-H2O]+ 163.07590 130.8
[M+HCOO]- 225.07684 158.8
[M+CH3COO]- 239.09249 180.0
[M+Na-2H]- 201.05331 140.8
[M]+ 180.07809 138.4
[M]- 180.07919 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

literature stripe

Patent stripe

patents stripe