CID 21935074

N-hydroxy-3-phenoxypropanamide

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1=CC=C(C=C1)OCCC(=O)NO
InChI
InChI=1S/C9H11NO3/c11-9(10-12)6-7-13-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
InChIKey
PTLMVTWTWJSJBJ-UHFFFAOYSA-N
Compound name
N-hydroxy-3-phenoxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

181.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 137.1
[M+Na]+ 204.063118 143.1
[M-H]- 180.066624 139.2
[M+NH4]+ 199.107723 155.8
[M+K]+ 220.037058 141.7
[M+H-H2O]+ 164.071160 130.8
[M+HCOO]- 226.072101 161.1
[M+CH3COO]- 240.087751 179.0
[M+Na-2H]- 202.048566 143.8
[M]+ 181.07335142 137.2
[M]- 181.07444858 137.2
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

patents stripe