CID 16228198

Ethyl 1-(chlorosulfonyl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C8H14ClNO4S
SMILES
CCOC(=O)C1CCN(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C8H14ClNO4S/c1-2-14-8(11)7-3-5-10(6-4-7)15(9,12)13/h7H,2-6H2,1H3
InChIKey
RBSATNAZLGTHIX-UHFFFAOYSA-N
Compound name
ethyl 1-chlorosulfonylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

255.0332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.040476 150.6
[M+Na]+ 278.022418 157.5
[M-H]- 254.025924 152.6
[M+NH4]+ 273.067023 167.4
[M+K]+ 293.996358 154.9
[M+H-H2O]+ 238.030460 145.7
[M+HCOO]- 300.031401 159.0
[M+CH3COO]- 314.047051 187.0
[M+Na-2H]- 276.007866 152.2
[M]+ 255.03265142 153.3
[M]- 255.03374858 153.3
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

patents stripe