CID 56973608

858671-91-7

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC2CCC1CN2

InChI

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

InChIKey

RBLOMFQUEUBEBG-UHFFFAOYSA-N

Compound name

tert-butyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 299
Patents: 212.15248 Da
Monoisotopic Mass: 1.1
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]+	213.159756	154.3
[M+Na]+	235.141698	157.7
[M-H]-	211.145204	146.6
[M+NH4]+	230.186303	174.3
[M+K]+	251.115638	156.0
[M+H-H2O]+	195.149740	149.3
[M+HCOO]-	257.150681	159.7
[M+CH3COO]-	271.166331	189.0
[M+Na-2H]-	233.127146	163.8
[M]+	212.15193142	154.4
[M]-	212.15302858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe