CID 43810891

928754-14-7

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC2CNC2C1

InChI

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

InChIKey

VGJOEEIXDPWTAZ-UHFFFAOYSA-N

Compound name

tert-butyl 3,8-diazabicyclo[4.2.0]octane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
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	151.8
[M+Na]+	235.14170	155.7
[M-H]-	211.14520	151.1
[M+NH4]+	230.18630	161.9
[M+K]+	251.11564	157.2
[M+H-H2O]+	195.14974	140.2
[M+HCOO]-	257.15068	163.4
[M+CH3COO]-	271.16633	187.7
[M+Na-2H]-	233.12715	155.3
[M]+	212.15193	157.0
[M]-	212.15303	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe