CID 82162748

1-(piperidin-3-ylmethyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H22N2O2
SMILES
C1CC(CNC1)CN2CCC(CC2)C(=O)O
InChI
InChI=1S/C12H22N2O2/c15-12(16)11-3-6-14(7-4-11)9-10-2-1-5-13-8-10/h10-11,13H,1-9H2,(H,15,16)
InChIKey
JRUWNUGCPUJQDL-UHFFFAOYSA-N
Compound name
1-(piperidin-3-ylmethyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 156.3
[M+Na]+ 249.157338 157.5
[M-H]- 225.160844 155.4
[M+NH4]+ 244.201943 169.4
[M+K]+ 265.131278 154.3
[M+H-H2O]+ 209.165380 147.9
[M+HCOO]- 271.166321 166.5
[M+CH3COO]- 285.181971 183.8
[M+Na-2H]- 247.142786 156.4
[M]+ 226.16757142 145.3
[M]- 226.16866858 145.3
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.