CID 18409081

164149-27-3

Structural Information

Molecular Formula

C₁₃H₂₄BrNO₂

SMILES

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

InChI

InChI=1S/C13H24BrNO2/c1-13(2,3)17-12(16)15-9-6-11(7-10-15)5-4-8-14/h11H,4-10H2,1-3H3

InChIKey

ANKJSMCUWZFYKF-UHFFFAOYSA-N

Compound name

tert-butyl 4-(3-bromopropyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 164
Patents: 305.09903 Da
Monoisotopic Mass: 3.3
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]+	306.10631	168.2
[M+Na]+	328.08825	175.7
[M-H]-	304.09175	171.9
[M+NH4]+	323.13285	185.9
[M+K]+	344.06219	165.4
[M+H-H2O]+	288.09629	167.6
[M+HCOO]-	350.09723	181.8
[M+CH3COO]-	364.11288	199.9
[M+Na-2H]-	326.07370	171.2
[M]+	305.09848	185.6
[M]-	305.09958	185.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe