CID 50986418

885271-73-8

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC2C1CCNC2

InChI

InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-8-6-12-5-4-9(8)13/h8-9,12H,4-7H2,1-3H3

InChIKey

WWQRKRDWYBRFAA-UHFFFAOYSA-N

Compound name

tert-butyl 3,7-diazabicyclo[4.2.0]octane-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 212.15248 Da
Monoisotopic Mass: 0.9
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]+	213.15976	151.6
[M+Na]+	235.14170	155.8
[M+NH4]+	230.18630	154.3
[M+K]+	251.11564	153.7
[M-H]-	211.14520	147.4
[M+Na-2H]-	233.12715	150.6
[M]+	212.15193	149.5
[M]-	212.15303	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe