CID 16228278

1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H13NO3S
SMILES
C1CCN(C(C1)C(=O)O)C(=O)C2=CC=CS2
InChI
InChI=1S/C11H13NO3S/c13-10(9-5-3-7-16-9)12-6-2-1-4-8(12)11(14)15/h3,5,7-8H,1-2,4,6H2,(H,14,15)
InChIKey
YMRCTWCRPNSLPD-UHFFFAOYSA-N
Compound name
1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06161 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06889 153.3
[M+Na]+ 262.05083 158.8
[M-H]- 238.05433 157.0
[M+NH4]+ 257.09543 170.7
[M+K]+ 278.02477 156.2
[M+H-H2O]+ 222.05887 146.9
[M+HCOO]- 284.05981 166.3
[M+CH3COO]- 298.07546 184.5
[M+Na-2H]- 260.03628 151.2
[M]+ 239.06106 151.0
[M]- 239.06216 151.0
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.