CID 23290786

219996-49-3

Structural Information

Molecular Formula

C₁₅H₂₅NO₄

SMILES

CC(C)(C)OC(=O)NCC12CCC(CC1)(CC2)C(=O)O

InChI

InChI=1S/C15H25NO4/c1-13(2,3)20-12(19)16-10-14-4-7-15(8-5-14,9-6-14)11(17)18/h4-10H2,1-3H3,(H,16,19)(H,17,18)

InChIKey

ZTXFFJDDDPLMAH-UHFFFAOYSA-N

Compound name

4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 283.17834 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.185616	171.6
[M+Na]+	306.167558	173.5
[M-H]-	282.171064	165.8
[M+NH4]+	301.212163	194.3
[M+K]+	322.141498	172.2
[M+H-H2O]+	266.175600	168.1
[M+HCOO]-	328.176541	178.2
[M+CH3COO]-	342.192191	202.7
[M+Na-2H]-	304.153006	181.7
[M]+	283.17779142	173.3
[M]-	283.17888858	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe