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: 11
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	146.2
[M+Na]+	236.07157	154.1
[M+NH4]+	231.11617	159.5
[M+K]+	252.04551	146.8
[M-H]-	212.07507	145.8
[M+Na-2H]-	234.05702	150.8
[M]+	213.08180	147.9
[M]-	213.08290	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe