CID 279980

N-hydroxy-4-phenylbutanamide

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1=CC=C(C=C1)CCCC(=O)NO
InChI
InChI=1S/C10H13NO2/c12-10(11-13)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H,11,12)
InChIKey
UPHXPXYRKPCXHK-UHFFFAOYSA-N
Compound name
N-hydroxy-4-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

98
Patents

179.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 138.9
[M+Na]+ 202.083858 144.6
[M-H]- 178.087364 140.9
[M+NH4]+ 197.128463 157.7
[M+K]+ 218.057798 142.3
[M+H-H2O]+ 162.091900 132.7
[M+HCOO]- 224.092841 162.3
[M+CH3COO]- 238.108491 179.9
[M+Na-2H]- 200.069306 145.1
[M]+ 179.09409142 137.9
[M]- 179.09518858 137.9
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