CID 8798

Nithiamide

Structural Information

Molecular Formula

C₅H₅N₃O₃S

SMILES

CC(=O)NC1=NC=C(S1)[N+](=O)[O-]

InChI

InChI=1S/C5H5N3O3S/c1-3(9)7-5-6-2-4(12-5)8(10)11/h2H,1H3,(H,6,7,9)

InChIKey

UJRRDDHEMZLWFI-UHFFFAOYSA-N

Compound name

N-(5-nitro-1,3-thiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 42
References: 1206
Patents: 187.00516 Da
Monoisotopic Mass: 1.3
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]+	188.01244	133.9
[M+Na]+	209.99438	143.5
[M+NH4]+	205.03898	141.1
[M+K]+	225.96832	142.2
[M-H]-	185.99788	135.4
[M+Na-2H]-	207.97983	137.8
[M]+	187.00461	135.6
[M]-	187.00571	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe