CID 200942

6h-1,3-thiazin-2-amine, 4,6,6-trimethyl-, monohydrochloride

Structural Information

Molecular Formula

C₇H₁₂N₂S

SMILES

CC1=CC(SC(=N1)N)(C)C

InChI

InChI=1S/C7H12N2S/c1-5-4-7(2,3)10-6(8)9-5/h4H,1-3H3,(H2,8,9)

InChIKey

SPXILDALAUEEHO-UHFFFAOYSA-N

Compound name

4,6,6-trimethyl-1,3-thiazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 156.07211 Da
Monoisotopic Mass: 1.1
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]+	157.079386	129.1
[M+Na]+	179.061328	138.4
[M-H]-	155.064834	131.7
[M+NH4]+	174.105933	151.4
[M+K]+	195.035268	135.9
[M+H-H2O]+	139.069370	124.0
[M+HCOO]-	201.070311	146.6
[M+CH3COO]-	215.085961	178.0
[M+Na-2H]-	177.046776	133.4
[M]+	156.07156142	128.9
[M]-	156.07265858	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe