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]+ 250.110766 154.9
[M+Na]+ 272.092708 159.8
[M-H]- 248.096214 154.8
[M+NH4]+ 267.137313 170.3
[M+K]+ 288.066648 157.5
[M+H-H2O]+ 232.100750 148.9
[M+HCOO]- 294.101691 165.6
[M+CH3COO]- 308.117341 187.4
[M+Na-2H]- 270.078156 155.4
[M]+ 249.10294142 154.7
[M]- 249.10403858 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