CID 3033155

Nithiazine

Structural Information

Molecular Formula
C5H8N2O2S
SMILES
C1CN/C(=C\[N+](=O)[O-])/SC1
InChI
InChI=1S/C5H8N2O2S/c8-7(9)4-5-6-2-1-3-10-5/h4,6H,1-3H2/b5-4+
InChIKey
LZTIMERBDGGAJD-SNAWJCMRSA-N
Compound name
(2E)-2-(nitromethylidene)-1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

14587
Patents

160.03065 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03793 129.5
[M+Na]+ 183.01987 134.2
[M-H]- 159.02337 129.8
[M+NH4]+ 178.06447 147.5
[M+K]+ 198.99381 127.6
[M+H-H2O]+ 143.02791 128.1
[M+HCOO]- 205.02885 144.3
[M+CH3COO]- 219.04450 163.7
[M+Na-2H]- 181.00532 134.2
[M]+ 160.03010 122.1
[M]- 160.03120 122.1
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.