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]+ 168.101916 134.9
[M+Na]+ 190.083858 142.5
[M-H]- 166.087364 133.9
[M+NH4]+ 185.128463 151.1
[M+K]+ 206.057798 139.3
[M+H-H2O]+ 150.091900 122.9
[M+HCOO]- 212.092841 146.9
[M+CH3COO]- 226.108491 184.6
[M+Na-2H]- 188.069306 137.3
[M]+ 167.09409142 125.5
[M]- 167.09518858 125.5
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.