CID 72207297

1803607-90-0

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NC1C2CC1CNC2

InChI

InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-7-4-8(9)6-12-5-7/h7-9,12H,4-6H2,1-3H3,(H,13,14)

InChIKey

WULUIRLXYWAJQJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-azabicyclo[3.1.1]heptan-6-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 212.15248 Da
Monoisotopic Mass: 1.0
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]+	213.15976	162.7
[M+Na]+	235.14170	164.9
[M-H]-	211.14520	158.4
[M+NH4]+	230.18630	176.9
[M+K]+	251.11564	166.9
[M+H-H2O]+	195.14974	153.1
[M+HCOO]-	257.15068	171.7
[M+CH3COO]-	271.16633	194.1
[M+Na-2H]-	233.12715	170.6
[M]+	212.15193	171.8
[M]-	212.15303	171.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe