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]+ 250.121996 154.2
[M+Na]+ 272.103938 158.4
[M-H]- 248.107444 157.0
[M+NH4]+ 267.148543 170.2
[M+K]+ 288.077878 157.9
[M+H-H2O]+ 232.111980 147.2
[M+HCOO]- 294.112921 168.8
[M+CH3COO]- 308.128571 197.5
[M+Na-2H]- 270.089386 155.9
[M]+ 249.11417142 153.6
[M]- 249.11526858 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.