CID 16228361

Methyl 1-(chlorosulfonyl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C7H12ClNO4S
SMILES
COC(=O)C1CCN(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C7H12ClNO4S/c1-13-7(10)6-2-4-9(5-3-6)14(8,11)12/h6H,2-5H2,1H3
InChIKey
VKNAOSFWHPEUSP-UHFFFAOYSA-N
Compound name
methyl 1-chlorosulfonylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.01756 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02484 148.5
[M+Na]+ 264.00678 157.8
[M+NH4]+ 259.05138 155.0
[M+K]+ 279.98072 152.3
[M-H]- 240.01028 147.1
[M+Na-2H]- 261.99223 151.0
[M]+ 241.01701 149.8
[M]- 241.01811 149.8
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

patents stripe