CID 71350851

N'-hydroxy-3-nitrothiophene-2-carboximidamide

Structural Information

Molecular Formula

C₅H₅N₃O₃S

SMILES

C1=CSC(=C1[N+](=O)[O-])C(=NO)N

InChI

InChI=1S/C5H5N3O3S/c6-5(7-9)4-3(8(10)11)1-2-12-4/h1-2,9H,(H2,6,7)

InChIKey

GAKLTPUFNKNAIM-UHFFFAOYSA-N

Compound name

N'-hydroxy-3-nitrothiophene-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 187.00516 Da
Monoisotopic Mass: 0.9
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	133.4
[M+Na]+	209.99438	141.5
[M+NH4]+	205.03898	140.7
[M+K]+	225.96832	140.8
[M-H]-	185.99788	135.7
[M+Na-2H]-	207.97983	137.1
[M]+	187.00461	135.0
[M]-	187.00571	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe