CID 139022591

2344678-18-6

Structural Information

Molecular Formula
C9H19N3O3S
SMILES
CN(C)S(=N)(=O)N1CCC(CC1)C(=O)OC
InChI
InChI=1S/C9H19N3O3S/c1-11(2)16(10,14)12-6-4-8(5-7-12)9(13)15-3/h8,10H,4-7H2,1-3H3
InChIKey
JRDLBKXOOMORKN-UHFFFAOYSA-N
Compound name
methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11472 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12200 154.2
[M+Na]+ 272.10394 158.4
[M-H]- 248.10744 157.0
[M+NH4]+ 267.14854 170.2
[M+K]+ 288.07788 157.9
[M+H-H2O]+ 232.11198 147.2
[M+HCOO]- 294.11292 168.8
[M+CH3COO]- 308.12857 197.5
[M+Na-2H]- 270.08939 155.9
[M]+ 249.11417 153.6
[M]- 249.11527 153.6
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.