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

6
Patents

181.0739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 138.0
[M+Na]+ 204.06312 145.6
[M-H]- 180.06662 137.1
[M+NH4]+ 199.10772 153.5
[M+K]+ 220.03706 142.8
[M+H-H2O]+ 164.07116 126.0
[M+HCOO]- 226.07210 149.5
[M+CH3COO]- 240.08775 185.9
[M+Na-2H]- 202.04857 139.2
[M]+ 181.07335 128.6
[M]- 181.07445 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