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]+ 206.08118 140.8
[M+Na]+ 228.06312 150.3
[M-H]- 204.06662 146.2
[M+NH4]+ 223.10772 158.4
[M+K]+ 244.03706 148.3
[M+H-H2O]+ 188.07116 134.0
[M+HCOO]- 250.07210 164.1
[M+CH3COO]- 264.08775 180.6
[M+Na-2H]- 226.04857 146.9
[M]+ 205.07335 143.2
[M]- 205.07445 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.