CID 16778057

926246-53-9

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCC(=O)N1CCCC(C1)C(=O)O
InChI
InChI=1S/C9H15NO3/c1-2-8(11)10-5-3-4-7(6-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKey
OHZLEWCRNCMLGD-UHFFFAOYSA-N
Compound name
1-propanoylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

185.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 141.1
[M+Na]+ 208.094418 146.0
[M-H]- 184.097924 141.2
[M+NH4]+ 203.139023 158.6
[M+K]+ 224.068358 145.1
[M+H-H2O]+ 168.102460 135.0
[M+HCOO]- 230.103401 157.6
[M+CH3COO]- 244.119051 179.0
[M+Na-2H]- 206.079866 142.7
[M]+ 185.10465142 137.3
[M]- 185.10574858 137.3
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