CID 10358619

142355-81-5

Structural Information

Molecular Formula

C₁₄H₂₆BrNO₂

SMILES

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

InChI

InChI=1S/C14H26BrNO2/c1-14(2,3)18-13(17)16-10-7-12(8-11-16)6-4-5-9-15/h12H,4-11H2,1-3H3

InChIKey

VRSNDRCACPSZIP-UHFFFAOYSA-N

Compound name

tert-butyl 4-(4-bromobutyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 319.1147 Da
Monoisotopic Mass: 3.9
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]+	320.12198	172.7
[M+Na]+	342.10392	179.8
[M-H]-	318.10742	176.2
[M+NH4]+	337.14852	189.9
[M+K]+	358.07786	169.3
[M+H-H2O]+	302.11196	171.9
[M+HCOO]-	364.11290	186.0
[M+CH3COO]-	378.12855	202.7
[M+Na-2H]-	340.08937	175.2
[M]+	319.11415	190.5
[M]-	319.11525	190.5

Literature stripe

literature stripe

Patent stripe

patents stripe