CID 23464324

5-nitrothiophen-3-amine hydrochloride

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: 4
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]+	145.006616	123.2
[M+Na]+	166.988558	131.5
[M-H]-	142.992064	127.2
[M+NH4]+	162.033163	145.6
[M+K]+	182.962498	125.7
[M+H-H2O]+	126.996600	122.5
[M+HCOO]-	188.997541	146.1
[M+CH3COO]-	203.013191	166.5
[M+Na-2H]-	164.974006	128.3
[M]+	143.99879142	121.1
[M]-	143.99988858	121.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe