CID 145874327

2375271-24-0

Structural Information

Molecular Formula
C8H16N2O3S
SMILES
COC(=O)C1CCN(CC1)S(=N)(=O)C
InChI
InChI=1S/C8H16N2O3S/c1-13-8(11)7-3-5-10(6-4-7)14(2,9)12/h7,9H,3-6H2,1-2H3
InChIKey
IJARNWQWIICWBY-UHFFFAOYSA-N
Compound name
methyl 1-(methylsulfonimidoyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.08817 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09545 146.9
[M+Na]+ 243.07739 152.4
[M-H]- 219.08089 148.6
[M+NH4]+ 238.12199 163.9
[M+K]+ 259.05133 150.8
[M+H-H2O]+ 203.08543 140.7
[M+HCOO]- 265.08637 160.4
[M+CH3COO]- 279.10202 186.0
[M+Na-2H]- 241.06284 149.0
[M]+ 220.08762 145.5
[M]- 220.08872 145.5
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.