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

12
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 157.8
[M+Na]+ 220.13081 163.8
[M-H]- 196.13431 157.9
[M+NH4]+ 215.17541 178.9
[M+K]+ 236.10475 165.6
[M+H-H2O]+ 180.13885 151.4
[M+HCOO]- 242.13979 172.1
[M+CH3COO]- 256.15544 189.6
[M+Na-2H]- 218.11626 163.3
[M]+ 197.14104 172.1
[M]- 197.14214 172.1
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