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]+ 205.097146 140.6
[M+Na]+ 227.079088 149.0
[M-H]- 203.082594 146.6
[M+NH4]+ 222.123693 156.7
[M+K]+ 243.053028 148.3
[M+H-H2O]+ 187.087130 132.5
[M+HCOO]- 249.088071 159.6
[M+CH3COO]- 263.103721 153.7
[M+Na-2H]- 225.064536 148.8
[M]+ 204.08932142 140.7
[M]- 204.09041858 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

literature stripe

Patent stripe

patents stripe