CID 66702167

1177423-96-9

Structural Information

Molecular Formula

C₆H₁₀N₄OS

SMILES

CC(C)NC(=O)C1=NN=C(S1)N

InChI

InChI=1S/C6H10N4OS/c1-3(2)8-4(11)5-9-10-6(7)12-5/h3H,1-2H3,(H2,7,10)(H,8,11)

InChIKey

JTIAKMAGEPWRIF-UHFFFAOYSA-N

Compound name

5-amino-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 186.05753 Da
Monoisotopic Mass: 0.4
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]+	187.06481	139.1
[M+Na]+	209.04675	146.8
[M+NH4]+	204.09135	145.7
[M+K]+	225.02069	143.5
[M-H]-	185.05025	139.2
[M+Na-2H]-	207.03220	142.2
[M]+	186.05698	140.1
[M]-	186.05808	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe