CID 572441

61698-76-8

Structural Information

Molecular Formula
C11H15NO4
SMILES
C1=CC(=CC=C1CC(=O)N)OCC(CO)O
InChI
InChI=1S/C11H15NO4/c12-11(15)5-8-1-3-10(4-2-8)16-7-9(14)6-13/h1-4,9,13-14H,5-7H2,(H2,12,15)
InChIKey
CQOQCZLTCMUVMX-UHFFFAOYSA-N
Compound name
2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

225.10011 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 149.9
[M+Na]+ 248.08933 155.1
[M-H]- 224.09283 150.1
[M+NH4]+ 243.13393 165.8
[M+K]+ 264.06327 153.1
[M+H-H2O]+ 208.09737 143.5
[M+HCOO]- 270.09831 170.2
[M+CH3COO]- 284.11396 187.0
[M+Na-2H]- 246.07478 152.0
[M]+ 225.09956 149.1
[M]- 225.10066 149.1
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.