CID 774012

280772-00-1

Structural Information

Molecular Formula
C7H13NO4S
SMILES
CS(=O)(=O)N1CCC(CC1)C(=O)O
InChI
InChI=1S/C7H13NO4S/c1-13(11,12)8-4-2-6(3-5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
SUGDSKDKCOFIQN-UHFFFAOYSA-N
Compound name
1-methylsulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

249
Patents

207.05653 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06381 143.4
[M+Na]+ 230.04575 151.4
[M+NH4]+ 225.09035 149.3
[M+K]+ 246.01969 146.9
[M-H]- 206.04925 141.4
[M+Na-2H]- 228.03120 145.1
[M]+ 207.05598 144.0
[M]- 207.05708 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe