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 142.3
[M+Na]+ 218.07876 149.5
[M-H]- 194.08226 141.3
[M+NH4]+ 213.12336 157.4
[M+K]+ 234.05270 146.6
[M+H-H2O]+ 178.08680 130.2
[M+HCOO]- 240.08774 153.5
[M+CH3COO]- 254.10339 188.0
[M+Na-2H]- 216.06421 143.0
[M]+ 195.08899 133.2
[M]- 195.09009 133.2
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.