CID 136575765

2219375-98-9

Structural Information

Molecular Formula
C15H25NO5
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(COCC=C)C(=O)O
InChI
InChI=1S/C15H25NO5/c1-5-9-20-11-15(12(17)18)7-6-8-16(10-15)13(19)21-14(2,3)4/h5H,1,6-11H2,2-4H3,(H,17,18)
InChIKey
SOTWCHVKEIDVSE-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(prop-2-enoxymethyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17328 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.180556 170.1
[M+Na]+ 322.162498 174.1
[M-H]- 298.166004 169.8
[M+NH4]+ 317.207103 185.2
[M+K]+ 338.136438 173.3
[M+H-H2O]+ 282.170540 164.8
[M+HCOO]- 344.171481 183.8
[M+CH3COO]- 358.187131 199.1
[M+Na-2H]- 320.147946 171.6
[M]+ 299.17273142 170.7
[M]- 299.17382858 170.7
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.