CID 13545731

105783-77-5

Structural Information

Molecular Formula

C₄H₅N₃O₂S

SMILES

CS(=O)(=O)C1=NC=CN=N1

InChI

InChI=1S/C4H5N3O2S/c1-10(8,9)4-5-2-3-6-7-4/h2-3H,1H3

InChIKey

NFRVNFNJYHDNJA-UHFFFAOYSA-N

Compound name

3-methylsulfonyl-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 159.01025 Da
Monoisotopic Mass: -1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	160.01753	130.1
[M+Na]+	181.99947	142.5
[M+NH4]+	177.04407	136.9
[M+K]+	197.97341	136.2
[M-H]-	158.00297	129.1
[M+Na-2H]-	179.98492	136.2
[M]+	159.00970	131.9
[M]-	159.01080	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe