CID 13311952

(2r)-2-hydroxy-1-(4-methoxyphenyl)propan-1-one

Structural Information

Molecular Formula
C10H12O3
SMILES
C[C@H](C(=O)C1=CC=C(C=C1)OC)O
InChI
InChI=1S/C10H12O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,11H,1-2H3/t7-/m1/s1
InChIKey
GTROJNGJJKJMDO-SSDOTTSWSA-N
Compound name
(2R)-2-hydroxy-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.07864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 137.0
[M+Na]+ 203.06786 144.2
[M-H]- 179.07136 139.6
[M+NH4]+ 198.11246 156.4
[M+K]+ 219.04180 143.2
[M+H-H2O]+ 163.07590 131.6
[M+HCOO]- 225.07684 158.7
[M+CH3COO]- 239.09249 179.8
[M+Na-2H]- 201.05331 141.1
[M]+ 180.07809 138.2
[M]- 180.07919 138.2
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

No patent data available for this compound.