CID 33535

4-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

26
Patents

132.03574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.043016 122.9
[M+Na]+ 155.024958 129.3
[M-H]- 131.028464 126.1
[M+NH4]+ 150.069563 144.1
[M+K]+ 170.998898 129.1
[M+H-H2O]+ 115.033000 116.4
[M+HCOO]- 177.033941 141.0
[M+CH3COO]- 191.049591 172.4
[M+Na-2H]- 153.010406 128.1
[M]+ 132.03519142 121.2
[M]- 132.03628858 121.2
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