CID 134191664

Tert-butyl 1-methyl-2-azabicyclo[2.1.1]hexane-2-carboxylate

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC12CC(C1)CN2C(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO2/c1-10(2,3)14-9(13)12-7-8-5-11(12,4)6-8/h8H,5-7H2,1-4H3
InChIKey
RJASBIIDCJVIRR-UHFFFAOYSA-N
Compound name
tert-butyl 1-methyl-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

197.14159 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 142.6
[M+Na]+ 220.13081 145.1
[M+NH4]+ 215.17541 148.5
[M+K]+ 236.10475 144.8
[M-H]- 196.13431 136.1
[M+Na-2H]- 218.11626 139.0
[M]+ 197.14104 139.8
[M]- 197.14214 139.8
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