CID 59049757

Methyl 1-(chlorosulfonyl)piperidine-2-carboxylate

Structural Information

Molecular Formula
C7H12ClNO4S
SMILES
COC(=O)C1CCCCN1S(=O)(=O)Cl
InChI
InChI=1S/C7H12ClNO4S/c1-13-7(10)6-4-2-3-5-9(6)14(8,11)12/h6H,2-5H2,1H3
InChIKey
JNRDRJWDMLSDQQ-UHFFFAOYSA-N
Compound name
methyl 1-chlorosulfonylpiperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.01756 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02484 146.1
[M+Na]+ 264.00678 153.5
[M-H]- 240.01028 148.3
[M+NH4]+ 259.05138 163.6
[M+K]+ 279.98072 151.1
[M+H-H2O]+ 224.01482 141.4
[M+HCOO]- 286.01576 154.9
[M+CH3COO]- 300.03141 184.0
[M+Na-2H]- 261.99223 148.2
[M]+ 241.01701 148.5
[M]- 241.01811 148.5
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