CID 16228565

1-(butane-1-sulfonyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C10H19NO4S
SMILES
CCCCS(=O)(=O)N1CCC(CC1)C(=O)O
InChI
InChI=1S/C10H19NO4S/c1-2-3-8-16(14,15)11-6-4-9(5-7-11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKey
ANEPSGWWUPFAEA-UHFFFAOYSA-N
Compound name
1-butylsulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

249.10349 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11077 154.9
[M+Na]+ 272.09271 159.8
[M-H]- 248.09621 154.8
[M+NH4]+ 267.13731 170.3
[M+K]+ 288.06665 157.5
[M+H-H2O]+ 232.10075 148.9
[M+HCOO]- 294.10169 165.6
[M+CH3COO]- 308.11734 187.4
[M+Na-2H]- 270.07816 155.4
[M]+ 249.10294 154.7
[M]- 249.10404 154.7
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