CID 16228297

1-(prop-2-yn-1-yl)piperidine-2-carboxylic acid

Structural Information

Molecular Formula
C9H13NO2
SMILES
C#CCN1CCCCC1C(=O)O
InChI
InChI=1S/C9H13NO2/c1-2-6-10-7-4-3-5-8(10)9(11)12/h1,8H,3-7H2,(H,11,12)
InChIKey
CHWCHFSOHNZGKJ-UHFFFAOYSA-N
Compound name
1-prop-2-ynylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09464 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 138.2
[M+Na]+ 190.08386 147.8
[M+NH4]+ 185.12846 141.9
[M+K]+ 206.05780 139.9
[M-H]- 166.08736 130.2
[M+Na-2H]- 188.06931 138.8
[M]+ 167.09409 136.2
[M]- 167.09519 136.2
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.