CID 119857

2-[4-(2,3-epoxypropoxy)phenyl]acetamide

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1C(O1)COC2=CC=C(C=C2)CC(=O)N
InChI
InChI=1S/C11H13NO3/c12-11(13)5-8-1-3-9(4-2-8)14-6-10-7-15-10/h1-4,10H,5-7H2,(H2,12,13)
InChIKey
SOGKXLVYZZXFTN-UHFFFAOYSA-N
Compound name
2-[4-(oxiran-2-ylmethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

207.08954 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 142.7
[M+Na]+ 230.07876 151.3
[M-H]- 206.08226 150.6
[M+NH4]+ 225.12336 155.0
[M+K]+ 246.05270 149.7
[M+H-H2O]+ 190.08680 135.5
[M+HCOO]- 252.08774 166.3
[M+CH3COO]- 266.10339 190.3
[M+Na-2H]- 228.06421 148.8
[M]+ 207.08899 146.8
[M]- 207.09009 146.8
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.