CID 33535

N-nitrosothiomorpholine

Structural Information

Molecular Formula
C4H8N2OS
SMILES
C1CSCCN1N=O
InChI
InChI=1S/C4H8N2OS/c7-5-6-1-3-8-4-2-6/h1-4H2
InChIKey
OMDNEQQMLDYBTR-UHFFFAOYSA-N
Compound name
4-nitrosothiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

132.03574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04302 124.2
[M+Na]+ 155.02496 134.4
[M+NH4]+ 150.06956 133.5
[M+K]+ 170.99890 126.8
[M-H]- 131.02846 126.6
[M+Na-2H]- 153.01041 129.8
[M]+ 132.03519 126.5
[M]- 132.03629 126.5
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