CID 13019211

Deethylterbutryne

Structural Information

Molecular Formula

C₈H₁₅N₅S

SMILES

CC(C)(C)NC1=NC(=NC(=N1)N)SC

InChI

InChI=1S/C8H15N5S/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)

InChIKey

MWWBDLRPMWTLRX-UHFFFAOYSA-N

Compound name

2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 20
Patents: 213.10481 Da
Monoisotopic Mass: 2.7
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]+	214.11209	148.2
[M+Na]+	236.09403	158.6
[M+NH4]+	231.13863	154.9
[M+K]+	252.06797	152.2
[M-H]-	212.09753	149.0
[M+Na-2H]-	234.07948	153.2
[M]+	213.10426	150.2
[M]-	213.10536	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe