CID 23004723

1185299-73-3

Structural Information

Molecular Formula
C10H17NO2S
SMILES
C1CN(CCC1C(=O)O)C2CCSC2
InChI
InChI=1S/C10H17NO2S/c12-10(13)8-1-4-11(5-2-8)9-3-6-14-7-9/h8-9H,1-7H2,(H,12,13)
InChIKey
VTGUCXMBTHVZAF-UHFFFAOYSA-N
Compound name
1-(thiolan-3-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.098 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10528 149.5
[M+Na]+ 238.08722 153.5
[M-H]- 214.09072 152.5
[M+NH4]+ 233.13182 167.9
[M+K]+ 254.06116 151.2
[M+H-H2O]+ 198.09526 143.2
[M+HCOO]- 260.09620 160.6
[M+CH3COO]- 274.11185 180.8
[M+Na-2H]- 236.07267 146.9
[M]+ 215.09745 144.0
[M]- 215.09855 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.