CID 24696023

1016776-88-7

Structural Information

Molecular Formula
C9H11NO3
SMILES
C#CC(=O)N1CCC(CC1)C(=O)O
InChI
InChI=1S/C9H11NO3/c1-2-8(11)10-5-3-7(4-6-10)9(12)13/h1,7H,3-6H2,(H,12,13)
InChIKey
FPOSRSONOAPPCB-UHFFFAOYSA-N
Compound name
1-prop-2-ynoylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

181.0739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 138.0
[M+Na]+ 204.063118 145.6
[M-H]- 180.066624 137.1
[M+NH4]+ 199.107723 153.5
[M+K]+ 220.037058 142.8
[M+H-H2O]+ 164.071160 126.0
[M+HCOO]- 226.072101 149.5
[M+CH3COO]- 240.087751 185.9
[M+Na-2H]- 202.048566 139.2
[M]+ 181.07335142 128.6
[M]- 181.07444858 128.6
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

patents stripe