CID 421947

Nsc140140

Structural Information

Molecular Formula
C12H21NO2S
SMILES
C1CCN(CC1)C23CCCCC2S(=O)(=O)C3
InChI
InChI=1S/C12H21NO2S/c14-16(15)10-12(7-3-2-6-11(12)16)13-8-4-1-5-9-13/h11H,1-10H2
InChIKey
OOLYUTFOHFXSLT-UHFFFAOYSA-N
Compound name
1-piperidin-1-yl-7lambda6-thiabicyclo[4.2.0]octane 7,7-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1293 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13658 148.5
[M+Na]+ 266.11852 152.0
[M-H]- 242.12202 152.7
[M+NH4]+ 261.16312 162.8
[M+K]+ 282.09246 152.5
[M+H-H2O]+ 226.12656 137.3
[M+HCOO]- 288.12750 157.5
[M+CH3COO]- 302.14315 190.5
[M+Na-2H]- 264.10397 152.0
[M]+ 243.12875 152.4
[M]- 243.12985 152.4
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.