CID 10313318

1621363-56-1

Structural Information

Molecular Formula

C₆H₈N₂S₂

SMILES

CSC1=CC=C(S1)C(=N)N

InChI

InChI=1S/C6H8N2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H3,7,8)

InChIKey

AXSQTCBARFBKPH-UHFFFAOYSA-N

Compound name

5-methylsulfanylthiophene-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 38
Patents: 172.0129 Da
Monoisotopic Mass: 1.7
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]+	173.02018	133.9
[M+Na]+	195.00212	142.1
[M+NH4]+	190.04672	143.0
[M+K]+	210.97606	135.1
[M-H]-	171.00562	136.6
[M+Na-2H]-	192.98757	137.7
[M]+	172.01235	136.5
[M]-	172.01345	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe