CID 4962812

1-(ethylsulfonyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C8H15NO4S
SMILES
CCS(=O)(=O)N1CCC(CC1)C(=O)O
InChI
InChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey
FXILSJTWIHHRJV-UHFFFAOYSA-N
Compound name
1-ethylsulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

221.07217 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07945 147.6
[M+Na]+ 244.06139 155.3
[M+NH4]+ 239.10599 153.3
[M+K]+ 260.03533 150.7
[M-H]- 220.06489 145.5
[M+Na-2H]- 242.04684 149.1
[M]+ 221.07162 148.1
[M]- 221.07272 148.1
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