CID 46223875

1225185-00-1

Structural Information

Molecular Formula
C8H17N2O4S
SMILES
C[N+]1(CCCCC1)S(=O)(=O)NC(=O)OC
InChI
InChI=1S/C8H16N2O4S/c1-10(6-4-3-5-7-10)15(12,13)9-8(11)14-2/h3-7H2,1-2H3/p+1
InChIKey
HUICDFPDKLNWBA-UHFFFAOYSA-O
Compound name
methyl N-(1-methylpiperidin-1-ium-1-yl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0909 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09818 145.4
[M+Na]+ 260.08012 150.5
[M-H]- 236.08362 147.2
[M+NH4]+ 255.12472 163.4
[M+K]+ 276.05406 144.2
[M+H-H2O]+ 220.08816 142.9
[M+HCOO]- 282.08910 158.9
[M+CH3COO]- 296.10475 178.3
[M+Na-2H]- 258.06557 152.9
[M]+ 237.09035 143.3
[M]- 237.09145 143.3
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.