CID 211170

22560-40-3

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC1=CC=CC=C1OCC2=COC(=O)N2
InChI
InChI=1S/C11H11NO3/c1-8-4-2-3-5-10(8)14-6-9-7-15-11(13)12-9/h2-5,7H,6H2,1H3,(H,12,13)
InChIKey
DAVOTJLHZIPOBO-UHFFFAOYSA-N
Compound name
4-[(2-methylphenoxy)methyl]-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 140.8
[M+Na]+ 228.063118 150.3
[M-H]- 204.066624 146.2
[M+NH4]+ 223.107723 158.4
[M+K]+ 244.037058 148.3
[M+H-H2O]+ 188.071160 134.0
[M+HCOO]- 250.072101 164.1
[M+CH3COO]- 264.087751 180.6
[M+Na-2H]- 226.048566 146.9
[M]+ 205.07335142 143.2
[M]- 205.07444858 143.2
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.