CID 15076237

1,5-dimethyl-1h-pyrrole-2-carbothioamide

Structural Information

Molecular Formula

C₇H₁₀N₂S

SMILES

CC1=CC=C(N1C)C(=S)N

InChI

InChI=1S/C7H10N2S/c1-5-3-4-6(7(8)10)9(5)2/h3-4H,1-2H3,(H2,8,10)

InChIKey

FJBWDQATHDGRDH-UHFFFAOYSA-N

Compound name

1,5-dimethylpyrrole-2-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 154.05647 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]+	155.06375	133.1
[M+Na]+	177.04569	143.4
[M+NH4]+	172.09029	141.7
[M+K]+	193.01963	138.0
[M-H]-	153.04919	134.7
[M+Na-2H]-	175.03114	137.2
[M]+	154.05592	135.3
[M]-	154.05702	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe