CID 3267214

1-(2-hydroxy-4-(2-hydroxypropoxy)phenyl)ethanone

Structural Information

Molecular Formula
C11H14O4
SMILES
CC(COC1=CC(=C(C=C1)C(=O)C)O)O
InChI
InChI=1S/C11H14O4/c1-7(12)6-15-9-3-4-10(8(2)13)11(14)5-9/h3-5,7,12,14H,6H2,1-2H3
InChIKey
CDWQIZZNRUUWLN-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.0892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 144.6
[M+Na]+ 233.07842 151.7
[M-H]- 209.08192 145.9
[M+NH4]+ 228.12302 162.2
[M+K]+ 249.05236 150.2
[M+H-H2O]+ 193.08646 139.1
[M+HCOO]- 255.08740 164.6
[M+CH3COO]- 269.10305 183.6
[M+Na-2H]- 231.06387 146.9
[M]+ 210.08865 146.1
[M]- 210.08975 146.1
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