CID 206650

23242-29-7

Structural Information

Molecular Formula

C₁₃H₂₀N₂S

SMILES

C1CCC2(CC1)C3=C(CCCC3)N=C(S2)N

InChI

InChI=1S/C13H20N2S/c14-12-15-11-7-3-2-6-10(11)13(16-12)8-4-1-5-9-13/h1-9H2,(H2,14,15)

InChIKey

NQAWQTUJTNVDCW-UHFFFAOYSA-N

Compound name

spiro[5,6,7,8-tetrahydro-3,1-benzothiazine-4,1'-cyclohexane]-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 2
Patents: 236.13472 Da
Monoisotopic Mass: 2.5
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]+	237.14200	151.5
[M+Na]+	259.12394	162.3
[M+NH4]+	254.16854	163.7
[M+K]+	275.09788	150.9
[M-H]-	235.12744	156.5
[M+Na-2H]-	257.10939	158.6
[M]+	236.13417	155.0
[M]-	236.13527	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe