CID 64154478

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

Structural Information

Molecular Formula
C7H11N3O3S
SMILES
C1COCCN1S(=O)(=O)C2=CN=CN2
InChI
InChI=1S/C7H11N3O3S/c11-14(12,7-5-8-6-9-7)10-1-3-13-4-2-10/h5-6H,1-4H2,(H,8,9)
InChIKey
NHZQLIVVBUEYHW-UHFFFAOYSA-N
Compound name
4-(1H-imidazol-5-ylsulfonyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.05211 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.05939 144.5
[M+Na]+ 240.04133 152.0
[M-H]- 216.04483 146.4
[M+NH4]+ 235.08593 158.8
[M+K]+ 256.01527 150.4
[M+H-H2O]+ 200.04937 137.4
[M+HCOO]- 262.05031 156.0
[M+CH3COO]- 276.06596 176.5
[M+Na-2H]- 238.02678 148.2
[M]+ 217.05156 142.5
[M]- 217.05266 142.5
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

No patent data available for this compound.