CID 170170

39222-73-6

Structural Information

Molecular Formula

C₆H₁₁N₃S

SMILES

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

InChI

InChI=1S/C6H11N3S/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3,(H2,7,9)

InChIKey

ICXDPEFCLDSXLI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 502
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]+	158.074646	133.2
[M+Na]+	180.056588	143.0
[M-H]-	156.060094	134.7
[M+NH4]+	175.101193	154.0
[M+K]+	196.030528	140.9
[M+H-H2O]+	140.064630	127.2
[M+HCOO]-	202.065571	150.5
[M+CH3COO]-	216.081221	176.5
[M+Na-2H]-	178.042036	136.2
[M]+	157.06682142	134.0
[M]-	157.06791858	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe