CID 22973188

Refchem:912693

Structural Information

Molecular Formula
C5H12NO2
SMILES
C[N+]1(CCOCC1)O
InChI
InChI=1S/C5H12NO2/c1-6(7)2-4-8-5-3-6/h7H,2-5H2,1H3/q+1
InChIKey
IRPGPGLVZOAFCU-UHFFFAOYSA-N
Compound name
4-hydroxy-4-methylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

50
References

58
Patents

118.08681 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.094086 119.9
[M+Na]+ 141.076028 126.3
[M-H]- 117.079534 121.5
[M+NH4]+ 136.120633 140.9
[M+K]+ 157.049968 121.8
[M+H-H2O]+ 101.084070 117.9
[M+HCOO]- 163.085011 137.9
[M+CH3COO]- 177.100661 157.1
[M+Na-2H]- 139.061476 131.3
[M]+ 118.08626142 114.9
[M]- 118.08735858 114.9
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