CID 63315756

1461714-17-9

Structural Information

Molecular Formula

C₆H₁₂N₄S

SMILES

CCSC1=NN=C(N1C)CN

InChI

InChI=1S/C6H12N4S/c1-3-11-6-9-8-5(4-7)10(6)2/h3-4,7H2,1-2H3

InChIKey

QZMUTAWUVWPSRF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.07826 Da
Monoisotopic Mass: -0.5
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]+	173.08554	136.9
[M+Na]+	195.06748	147.3
[M+NH4]+	190.11208	144.3
[M+K]+	211.04142	141.8
[M-H]-	171.07098	137.2
[M+Na-2H]-	193.05293	140.7
[M]+	172.07771	138.6
[M]-	172.07881	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.