CID 24846805

102612-96-4

Structural Information

Molecular Formula

C₁₃H₂₀N₂S

SMILES

CC(C)(C)C1=CSC2=NC3CCCCC3N12

InChI

InChI=1S/C13H20N2S/c1-13(2,3)11-8-16-12-14-9-6-4-5-7-10(9)15(11)12/h8-10H,4-7H2,1-3H3

InChIKey

JHGPUVYVPAWRDX-UHFFFAOYSA-N

Compound name

1-tert-butyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 236.13472 Da
Monoisotopic Mass: 3.1
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]+	237.141996	158.2
[M+Na]+	259.123938	166.7
[M-H]-	235.127444	161.0
[M+NH4]+	254.168543	180.4
[M+K]+	275.097878	163.7
[M+H-H2O]+	219.131980	153.0
[M+HCOO]-	281.132921	169.6
[M+CH3COO]-	295.148571	170.0
[M+Na-2H]-	257.109386	158.2
[M]+	236.13417142	158.6
[M]-	236.13526858	158.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.