CID 139597439

Ns00000758

Structural Information

Molecular Formula
C11H13NO4
SMILES
C1=CC(=CC=C1CC(=O)N)OCC(C=O)O
InChI
InChI=1S/C11H13NO4/c12-11(15)5-8-1-3-10(4-2-8)16-7-9(14)6-13/h1-4,6,9,14H,5,7H2,(H2,12,15)
InChIKey
VDBKWZYEXXYMAA-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxy-3-oxopropoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 148.2
[M+Na]+ 246.073678 154.1
[M-H]- 222.077184 149.8
[M+NH4]+ 241.118283 164.8
[M+K]+ 262.047618 152.4
[M+H-H2O]+ 206.081720 141.6
[M+HCOO]- 268.082661 170.2
[M+CH3COO]- 282.098311 188.5
[M+Na-2H]- 244.059126 150.8
[M]+ 223.08391142 148.5
[M]- 223.08500858 148.5
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

No patent data available for this compound.