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

81
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

literature stripe

Patent stripe

patents stripe