CID 46848157

1229005-35-9

Structural Information

Molecular Formula
C12H16O5
SMILES
C[C@H](C(=O)C1=CC(=C(C=C1OC)OC)OC)O
InChI
InChI=1S/C12H16O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-7,13H,1-4H3/t7-/m1/s1
InChIKey
YZDSYNUVCHNUIT-SSDOTTSWSA-N
Compound name
(2R)-2-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.09978 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.107056 150.3
[M+Na]+ 263.088998 158.2
[M-H]- 239.092504 153.1
[M+NH4]+ 258.133603 167.6
[M+K]+ 279.062938 158.0
[M+H-H2O]+ 223.097040 144.4
[M+HCOO]- 285.097981 171.6
[M+CH3COO]- 299.113631 192.5
[M+Na-2H]- 261.074446 152.1
[M]+ 240.09923142 155.9
[M]- 240.10032858 155.9
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