CID 155822733

2567504-38-3

Structural Information

Molecular Formula
C14H21NO3
SMILES
C=CC(=O)N1CCC(CC1)C2CCCC2C(=O)O
InChI
InChI=1S/C14H21NO3/c1-2-13(16)15-8-6-10(7-9-15)11-4-3-5-12(11)14(17)18/h2,10-12H,1,3-9H2,(H,17,18)
InChIKey
XITJLORVYDZMSS-UHFFFAOYSA-N
Compound name
2-(1-prop-2-enoylpiperidin-4-yl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 161.0
[M+Na]+ 274.14137 163.9
[M-H]- 250.14487 163.5
[M+NH4]+ 269.18597 177.2
[M+K]+ 290.11531 161.1
[M+H-H2O]+ 234.14941 154.0
[M+HCOO]- 296.15035 175.2
[M+CH3COO]- 310.16600 190.9
[M+Na-2H]- 272.12682 157.4
[M]+ 251.15160 153.9
[M]- 251.15270 153.9
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.