CID 66723913

2031260-92-9

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NC1CC2CCC1NC2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(10)13-7-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKey
IXRLWLHDGBGFPX-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

226.16812 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 156.0
[M+Na]+ 249.15734 158.1
[M-H]- 225.16084 149.4
[M+NH4]+ 244.20194 176.4
[M+K]+ 265.13128 156.4
[M+H-H2O]+ 209.16538 151.6
[M+HCOO]- 271.16632 163.3
[M+CH3COO]- 285.18197 194.1
[M+Na-2H]- 247.14279 165.6
[M]+ 226.16757 155.3
[M]- 226.16867 155.3
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

patents stripe