CID 64985313

1205750-37-3

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

C1CNCCC1(C#N)C(=O)O

InChI

InChI=1S/C7H10N2O2/c8-5-7(6(10)11)1-3-9-4-2-7/h9H,1-4H2,(H,10,11)

InChIKey

ASKVGCJHTNRTQO-UHFFFAOYSA-N

Compound name

4-cyanopiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 154.07423 Da
Monoisotopic Mass: -2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.08151	133.1
[M+Na]+	177.06345	140.7
[M-H]-	153.06695	132.3
[M+NH4]+	172.10805	150.9
[M+K]+	193.03739	137.7
[M+H-H2O]+	137.07149	121.6
[M+HCOO]-	199.07243	146.5
[M+CH3COO]-	213.08808	182.1
[M+Na-2H]-	175.04890	138.1
[M]+	154.07368	122.3
[M]-	154.07478	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe