CID 16228619

1-(ethylsulfonyl)piperidine-2-carboxylic acid

Structural Information

Molecular Formula
C8H15NO4S
SMILES
CCS(=O)(=O)N1CCCCC1C(=O)O
InChI
InChI=1S/C8H15NO4S/c1-2-14(12,13)9-6-4-3-5-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey
HXVVJOWQWVXOIT-UHFFFAOYSA-N
Compound name
1-ethylsulfonylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07217 Da
Monoisotopic Mass

0.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.