CID 33752720

1461706-99-9

Structural Information

Molecular Formula

C₅H₁₀N₄S

SMILES

CN1C(=NN=C1SC)CN

InChI

InChI=1S/C5H10N4S/c1-9-4(3-6)7-8-5(9)10-2/h3,6H2,1-2H3

InChIKey

YZCPJPQTEZINTH-UHFFFAOYSA-N

Compound name

(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.06262 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]+	159.06990	132.6
[M+Na]+	181.05184	143.2
[M+NH4]+	176.09644	140.2
[M+K]+	197.02578	138.0
[M-H]-	157.05534	133.0
[M+Na-2H]-	179.03729	136.6
[M]+	158.06207	134.4
[M]-	158.06317	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.