CID 5230546

4-(1h-imidazole-1-carbonyl)morpholine

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1COCCN1C(=O)N2C=CN=C2
InChI
InChI=1S/C8H11N3O2/c12-8(11-2-1-9-7-11)10-3-5-13-6-4-10/h1-2,7H,3-6H2
InChIKey
WCRWCPGYKYDSJL-UHFFFAOYSA-N
Compound name
imidazol-1-yl(morpholin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

51
Patents

181.08513 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 138.2
[M+Na]+ 204.074348 144.3
[M-H]- 180.077854 140.7
[M+NH4]+ 199.118953 153.8
[M+K]+ 220.048288 144.3
[M+H-H2O]+ 164.082390 129.3
[M+HCOO]- 226.083331 155.7
[M+CH3COO]- 240.098981 176.0
[M+Na-2H]- 202.059796 143.0
[M]+ 181.08458142 135.0
[M]- 181.08567858 135.0
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