CID 322186

53338-36-6

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S₂

SMILES

CC12C(=O)N(C(C(=O)N1C)(SS2)C)C

InChI

InChI=1S/C8H12N2O2S2/c1-7-5(11)10(4)8(2,14-13-7)6(12)9(7)3/h1-4H3

InChIKey

JNACNFRANQECFU-UHFFFAOYSA-N

Compound name

1,4,5,7-tetramethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 232.03403 Da
Monoisotopic Mass: 0.2
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]+	233.04131	144.3
[M+Na]+	255.02325	152.7
[M-H]-	231.02675	138.1
[M+NH4]+	250.06785	168.8
[M+K]+	270.99719	150.8
[M+H-H2O]+	215.03129	141.3
[M+HCOO]-	277.03223	144.2
[M+CH3COO]-	291.04788	154.5
[M+Na-2H]-	253.00870	154.5
[M]+	232.03348	151.8
[M]-	232.03458	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe