CID 589769

2-(morpholin-4-yl)-1,3-benzoxazole

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1COCCN1C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C11H12N2O2/c1-2-4-10-9(3-1)12-11(15-10)13-5-7-14-8-6-13/h1-4H,5-8H2
InChIKey
LOKNGHIFVQILMU-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

204.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 140.6
[M+Na]+ 227.07909 149.0
[M-H]- 203.08259 146.6
[M+NH4]+ 222.12369 156.7
[M+K]+ 243.05303 148.3
[M+H-H2O]+ 187.08713 132.5
[M+HCOO]- 249.08807 159.6
[M+CH3COO]- 263.10372 153.7
[M+Na-2H]- 225.06454 148.8
[M]+ 204.08932 140.7
[M]- 204.09042 140.7
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.