CID 23464324

2503203-66-3

Structural Information

Molecular Formula

C₄H₄N₂O₂S

SMILES

C1=C(SC=C1N)[N+](=O)[O-]

InChI

InChI=1S/C4H4N2O2S/c5-3-1-4(6(7)8)9-2-3/h1-2H,5H2

InChIKey

QUICPOIQCAJAJL-UHFFFAOYSA-N

Compound name

5-nitrothiophen-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 143.99934 Da
Monoisotopic Mass: 1.1
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]+	145.00662	122.7
[M+Na]+	166.98856	133.2
[M+NH4]+	162.03316	131.7
[M+K]+	182.96250	130.9
[M-H]-	142.99206	125.9
[M+Na-2H]-	164.97401	127.7
[M]+	143.99879	125.2
[M]-	143.99989	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe