CID 392005

Nsc691802

Structural Information

Molecular Formula

C₁₀H₁₂N₂S₂

SMILES

C1=C(SC(=C1)C2=CC=C(S2)CN)CN

InChI

InChI=1S/C10H12N2S2/c11-5-7-1-3-9(13-7)10-4-2-8(6-12)14-10/h1-4H,5-6,11-12H2

InChIKey

NSGLGKSLBXYBDI-UHFFFAOYSA-N

Compound name

[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 224.04419 Da
Monoisotopic Mass: 0.8
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]+	225.05147	145.4
[M+Na]+	247.03341	156.2
[M-H]-	223.03691	152.5
[M+NH4]+	242.07801	167.6
[M+K]+	263.00735	150.5
[M+H-H2O]+	207.04145	139.9
[M+HCOO]-	269.04239	164.0
[M+CH3COO]-	283.05804	159.2
[M+Na-2H]-	245.01886	144.4
[M]+	224.04364	147.3
[M]-	224.04474	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe