CID 1622592

5-butyl-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula

C₆H₁₁N₃S

SMILES

CCCCC1=NN=C(S1)N

InChI

InChI=1S/C6H11N3S/c1-2-3-4-5-8-9-6(7)10-5/h2-4H2,1H3,(H2,7,9)

InChIKey

ZVMPWERUANCLFH-UHFFFAOYSA-N

Compound name

5-butyl-1,3,4-thiadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 157.06737 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]+	158.07465	132.3
[M+Na]+	180.05659	142.6
[M+NH4]+	175.10119	140.6
[M+K]+	196.03053	136.7
[M-H]-	156.06009	133.4
[M+Na-2H]-	178.04204	136.9
[M]+	157.06682	134.3
[M]-	157.06792	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe