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

37
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 143.4
[M+Na]+ 219.09782 149.9
[M-H]- 195.10132 146.6
[M+NH4]+ 214.14242 158.5
[M+K]+ 235.07176 144.2
[M+H-H2O]+ 179.10586 137.4
[M+HCOO]- 241.10680 160.3
[M+CH3COO]- 255.12245 173.3
[M+Na-2H]- 217.08327 149.6
[M]+ 196.10805 139.6
[M]- 196.10915 139.6
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