CID 90825810

775288-52-3

Structural Information

Molecular Formula

C₁₄H₂₅NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(C)(C)C=O

InChI

InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-8-6-11(7-9-15)14(4,5)10-16/h10-11H,6-9H2,1-5H3

InChIKey

RUDVNPDWGAFFAX-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 255.18344 Da
Monoisotopic Mass: 2.2
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]+	256.190716	161.5
[M+Na]+	278.172658	166.0
[M-H]-	254.176164	162.9
[M+NH4]+	273.217263	177.5
[M+K]+	294.146598	165.4
[M+H-H2O]+	238.180700	155.8
[M+HCOO]-	300.181641	175.8
[M+CH3COO]-	314.197291	195.3
[M+Na-2H]-	276.158106	164.4
[M]+	255.18289142	161.1
[M]-	255.18398858	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe