CID 145913504

2377033-40-2

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NC12CCC(CC1)NC2
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-12-6-4-9(5-7-12)13-8-12/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKey
GMHDJPGDRMZLRO-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-azabicyclo[2.2.2]octan-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 157.0
[M+Na]+ 249.157338 159.3
[M-H]- 225.160844 150.2
[M+NH4]+ 244.201943 179.1
[M+K]+ 265.131278 157.5
[M+H-H2O]+ 209.165380 152.4
[M+HCOO]- 271.166321 164.2
[M+CH3COO]- 285.181971 192.5
[M+Na-2H]- 247.142786 168.2
[M]+ 226.16757142 156.2
[M]- 226.16866858 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.