CID 137952389

2174000-13-4

Structural Information

Molecular Formula
C8H18N2O2S
SMILES
C1CCCNS(=O)(=O)CCNCC1
InChI
InChI=1S/C8H18N2O2S/c11-13(12)8-7-9-5-3-1-2-4-6-10-13/h9-10H,1-8H2
InChIKey
CBFDJEANTQUCOB-UHFFFAOYSA-N
Compound name
1lambda6-thia-2,9-diazacycloundecane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1089 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11618 144.5
[M+Na]+ 229.09812 149.1
[M-H]- 205.10162 139.4
[M+NH4]+ 224.14272 158.7
[M+K]+ 245.07206 146.8
[M+H-H2O]+ 189.10616 141.6
[M+HCOO]- 251.10710 152.9
[M+CH3COO]- 265.12275 168.9
[M+Na-2H]- 227.08357 145.9
[M]+ 206.10835 134.1
[M]- 206.10945 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.