CID 4362935

4h,5h,6h,7h,8h-cyclohepta[d][1,3]thiazol-2-amine

Structural Information

Molecular Formula

C₈H₁₂N₂S

SMILES

C1CCC2=C(CC1)SC(=N2)N

InChI

InChI=1S/C8H12N2S/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H2,(H2,9,10)

InChIKey

RTUODTFOELDCNI-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 168.07211 Da
Monoisotopic Mass: 2.1
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]+	169.079386	133.5
[M+Na]+	191.061328	139.2
[M-H]-	167.064834	137.3
[M+NH4]+	186.105933	154.1
[M+K]+	207.035268	140.2
[M+H-H2O]+	151.069370	127.6
[M+HCOO]-	213.070311	149.4
[M+CH3COO]-	227.085961	145.6
[M+Na-2H]-	189.046776	135.8
[M]+	168.07156142	128.2
[M]-	168.07265858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe