CID 59403081

1935913-90-8

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N1C2CC(CC1C2)N

InChI

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

InChIKey

YRNGRFZNXFKTRE-UHFFFAOYSA-N

Compound name

tert-butyl 3-amino-6-azabicyclo[3.1.1]heptane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	164.0
[M+Na]+	235.14170	167.4
[M-H]-	211.14520	160.8
[M+NH4]+	230.18630	178.8
[M+K]+	251.11564	169.9
[M+H-H2O]+	195.14974	154.4
[M+HCOO]-	257.15068	173.7
[M+CH3COO]-	271.16633	197.1
[M+Na-2H]-	233.12715	170.5
[M]+	212.15193	174.1
[M]-	212.15303	174.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe