CID 53417926

1260882-98-1

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CCC=C)C(=O)O
InChI
InChI=1S/C15H25NO4/c1-5-6-7-15(12(17)18)8-10-16(11-9-15)13(19)20-14(2,3)4/h5H,1,6-11H2,2-4H3,(H,17,18)
InChIKey
DEHWQBGYEBKYPX-UHFFFAOYSA-N
Compound name
4-but-3-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.185616 167.6
[M+Na]+ 306.167558 171.6
[M-H]- 282.171064 167.3
[M+NH4]+ 301.212163 183.3
[M+K]+ 322.141498 170.2
[M+H-H2O]+ 266.175600 162.3
[M+HCOO]- 328.176541 181.0
[M+CH3COO]- 342.192191 196.9
[M+Na-2H]- 304.153006 168.8
[M]+ 283.17779142 166.6
[M]- 283.17888858 166.6
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

No patent data available for this compound.