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]+ 300.18056 170.1
[M+Na]+ 322.16250 174.1
[M-H]- 298.16600 169.8
[M+NH4]+ 317.20710 185.2
[M+K]+ 338.13644 173.3
[M+H-H2O]+ 282.17054 164.8
[M+HCOO]- 344.17148 183.8
[M+CH3COO]- 358.18713 199.1
[M+Na-2H]- 320.14795 171.6
[M]+ 299.17273 170.7
[M]- 299.17383 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.