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 134.9
[M+Na]+ 190.08386 142.5
[M-H]- 166.08736 133.9
[M+NH4]+ 185.12846 151.1
[M+K]+ 206.05780 139.3
[M+H-H2O]+ 150.09190 122.9
[M+HCOO]- 212.09284 146.9
[M+CH3COO]- 226.10849 184.6
[M+Na-2H]- 188.06931 137.3
[M]+ 167.09409 125.5
[M]- 167.09519 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.