CID 42958594

1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H18N2O3
SMILES
C1CCN(C1)C(=O)N2CCCC(C2)C(=O)O
InChI
InChI=1S/C11H18N2O3/c14-10(15)9-4-3-7-13(8-9)11(16)12-5-1-2-6-12/h9H,1-8H2,(H,14,15)
InChIKey
CSMCSYUVHXHTPJ-UHFFFAOYSA-N
Compound name
1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.139016 153.5
[M+Na]+ 249.120958 156.6
[M-H]- 225.124464 154.9
[M+NH4]+ 244.165563 169.2
[M+K]+ 265.094898 155.1
[M+H-H2O]+ 209.129000 145.6
[M+HCOO]- 271.129941 167.3
[M+CH3COO]- 285.145591 183.7
[M+Na-2H]- 247.106406 152.0
[M]+ 226.13119142 146.2
[M]- 226.13228858 146.2
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.