CID 362687

60886-80-8

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

CC1(C2CCC13CS(=O)(=O)N=C3C2)C

InChI

InChI=1S/C10H15NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7H,3-6H2,1-2H3

InChIKey

ZAHOEBNYVSWBBW-UHFFFAOYSA-N

Compound name

10,10-dimethyl-3lambda6-thia-4-azatricyclo[5.2.1.01,5]dec-4-ene 3,3-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 213.08235 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]+	214.08963	144.3
[M+Na]+	236.07157	156.5
[M-H]-	212.07507	148.9
[M+NH4]+	231.11617	176.0
[M+K]+	252.04551	153.9
[M+H-H2O]+	196.07961	142.4
[M+HCOO]-	258.08055	160.9
[M+CH3COO]-	272.09620	159.0
[M+Na-2H]-	234.05702	148.1
[M]+	213.08180	149.3
[M]-	213.08290	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe