CID 61242816

4-(piperazin-1-yl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C10H19N3O2
SMILES
C1CNCCC1(C(=O)O)N2CCNCC2
InChI
InChI=1S/C10H19N3O2/c14-9(15)10(1-3-11-4-2-10)13-7-5-12-6-8-13/h11-12H,1-8H2,(H,14,15)
InChIKey
HPYAUWCUNUYIDG-UHFFFAOYSA-N
Compound name
4-piperazin-1-ylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.14772 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.154996 153.4
[M+Na]+ 236.136938 155.2
[M-H]- 212.140444 150.0
[M+NH4]+ 231.181543 166.6
[M+K]+ 252.110878 151.8
[M+H-H2O]+ 196.144980 145.1
[M+HCOO]- 258.145921 161.5
[M+CH3COO]- 272.161571 176.8
[M+Na-2H]- 234.122386 155.8
[M]+ 213.14717142 140.4
[M]- 213.14826858 140.4
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.