CID 54592751

Ethyl 4-(chlorosulfonyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C8H14ClNO4S
SMILES
CCOC(=O)N1CCC(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C8H14ClNO4S/c1-2-14-8(11)10-5-3-7(4-6-10)15(9,12)13/h7H,2-6H2,1H3
InChIKey
KCXLEPXXDQVBTA-UHFFFAOYSA-N
Compound name
ethyl 4-chlorosulfonylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

255.0332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04048 152.9
[M+Na]+ 278.02242 162.1
[M+NH4]+ 273.06702 159.3
[M+K]+ 293.99636 156.3
[M-H]- 254.02592 151.5
[M+Na-2H]- 276.00787 155.2
[M]+ 255.03265 154.2
[M]- 255.03375 154.2
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