CID 177799710

Tert-butyl n-[(1r,4r)-4-(3-aminopropoxy)cyclohexyl]carbamate

Structural Information

Molecular Formula

C₁₄H₂₈N₂O₃

SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)OCCCN

InChI

InChI=1S/C14H28N2O3/c1-14(2,3)19-13(17)16-11-5-7-12(8-6-11)18-10-4-9-15/h11-12H,4-10,15H2,1-3H3,(H,16,17)

InChIKey

WEOIYUMPXULOFP-UHFFFAOYSA-N

Compound name

tert-butyl N-[4-(3-aminopropoxy)cyclohexyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 272.21 Da
Monoisotopic Mass: 1.5
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]+	273.217276	167.6
[M+Na]+	295.199218	169.4
[M-H]-	271.202724	169.1
[M+NH4]+	290.243823	183.0
[M+K]+	311.173158	168.6
[M+H-H2O]+	255.207260	160.9
[M+HCOO]-	317.208201	185.8
[M+CH3COO]-	331.223851	202.6
[M+Na-2H]-	293.184666	168.8
[M]+	272.20945142	165.1
[M]-	272.21054858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.