PubChemLite - 108448-77-7 (C10H17NO2S)

Structural Information

Molecular Formula

C₁₀H₁₇NO₂S

SMILES

CC1(C2CCC13CS(=O)(=O)NC3C2)C

InChI

InChI=1S/C10H17NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7-8,11H,3-6H2,1-2H3

InChIKey

DPJYJNYYDJOJNO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

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]+	216.10528	147.6
[M+Na]+	238.08722	154.0
[M+NH4]+	233.13182	160.4
[M+K]+	254.06116	147.2
[M-H]-	214.09072	146.4
[M+Na-2H]-	236.07267	150.9
[M]+	215.09745	148.8
[M]-	215.09855	148.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

216.10528

147.6

[M+Na]+

238.08722

154.0

[M+NH4]+

233.13182

160.4

[M+K]+

254.06116

147.2

[M-H]-

214.09072

146.4

[M+Na-2H]-

236.07267

150.9

[M]+

215.09745

148.8

[M]-

215.09855

148.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

108448-77-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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