CID 44630210

107869-45-4

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

CC1([C@@H]2CCC13CS(=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/t7-,10?/m1/s1

InChIKey

ZAHOEBNYVSWBBW-PVSHWOEXSA-N

Compound name

(7R)-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

2
Annotation Hits: 0
References: 9
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]+	214.089626	144.3
[M+Na]+	236.071568	156.5
[M-H]-	212.075074	148.9
[M+NH4]+	231.116173	176.0
[M+K]+	252.045508	153.9
[M+H-H2O]+	196.079610	142.4
[M+HCOO]-	258.080551	160.9
[M+CH3COO]-	272.096201	159.0
[M+Na-2H]-	234.057016	148.1
[M]+	213.08180142	149.3
[M]-	213.08289858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.