CID 102257

4,4-dimethylmorpholin-4-ium iodide

Structural Information

Molecular Formula
C6H14NO
SMILES
C[N+]1(CCOCC1)C
InChI
InChI=1S/C6H14NO/c1-7(2)3-5-8-6-4-7/h3-6H2,1-2H3/q+1
InChIKey
VAJZCFLYJRMBFN-UHFFFAOYSA-N
Compound name
4,4-dimethylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

2612
Patents

116.10754 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.11482 120.3
[M+Na]+ 139.09676 126.7
[M-H]- 115.10026 123.1
[M+NH4]+ 134.14136 142.1
[M+K]+ 155.07070 122.6
[M+H-H2O]+ 99.104800 118.0
[M+HCOO]- 161.10574 139.2
[M+CH3COO]- 175.12139 161.1
[M+Na-2H]- 137.08221 131.6
[M]+ 116.10699 116.0
[M]- 116.10809 116.0
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