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]+ 216.105276 149.5
[M+Na]+ 238.087218 153.5
[M-H]- 214.090724 152.5
[M+NH4]+ 233.131823 167.9
[M+K]+ 254.061158 151.2
[M+H-H2O]+ 198.095260 143.2
[M+HCOO]- 260.096201 160.6
[M+CH3COO]- 274.111851 180.8
[M+Na-2H]- 236.072666 146.9
[M]+ 215.09745142 144.0
[M]- 215.09854858 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.