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]+ 227.13902 153.5
[M+Na]+ 249.12096 156.6
[M-H]- 225.12446 154.9
[M+NH4]+ 244.16556 169.2
[M+K]+ 265.09490 155.1
[M+H-H2O]+ 209.12900 145.6
[M+HCOO]- 271.12994 167.3
[M+CH3COO]- 285.14559 183.7
[M+Na-2H]- 247.10641 152.0
[M]+ 226.13119 146.2
[M]- 226.13229 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.