CID 107986396

1702029-44-4

Structural Information

Molecular Formula
C10H13NO3
SMILES
CC#CC(=O)N1CCCCC1C(=O)O
InChI
InChI=1S/C10H13NO3/c1-2-5-9(12)11-7-4-3-6-8(11)10(13)14/h8H,3-4,6-7H2,1H3,(H,13,14)
InChIKey
YUTNHLWCNVJACB-UHFFFAOYSA-N
Compound name
1-but-2-ynoylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 144.4
[M+Na]+ 218.07876 153.2
[M+NH4]+ 213.12336 147.1
[M+K]+ 234.05270 146.2
[M-H]- 194.08226 135.5
[M+Na-2H]- 216.06421 144.0
[M]+ 195.08899 141.9
[M]- 195.09009 141.9
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.