CID 4998788

3-methyl-1-(morpholine-4-carbonyl)-1h-imidazol-3-ium iodide

Structural Information

Molecular Formula
C9H14N3O2
SMILES
C[N+]1=CN(C=C1)C(=O)N2CCOCC2
InChI
InChI=1S/C9H14N3O2/c1-10-2-3-12(8-10)9(13)11-4-6-14-7-5-11/h2-3,8H,4-7H2,1H3/q+1
InChIKey
PJSWBMRSMGQROY-UHFFFAOYSA-N
Compound name
(3-methylimidazol-3-ium-1-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

196.1086 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11588 140.9
[M+Na]+ 219.09782 154.0
[M+NH4]+ 214.14242 148.9
[M+K]+ 235.07176 152.0
[M-H]- 195.10132 144.7
[M+Na-2H]- 217.08327 146.9
[M]+ 196.10805 143.9
[M]- 196.10915 143.9
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

patents stripe