CID 10921489

Tert-butyl 7-azabicyclo[2.2.1]heptane-7-carboxylate

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC2
InChI
InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-8-4-5-9(12)7-6-8/h8-9H,4-7H2,1-3H3
InChIKey
XRWOTBAFKAGTRM-UHFFFAOYSA-N
Compound name
tert-butyl 7-azabicyclo[2.2.1]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

197.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 149.8
[M+Na]+ 220.130808 156.3
[M-H]- 196.134314 151.2
[M+NH4]+ 215.175413 173.3
[M+K]+ 236.104748 155.5
[M+H-H2O]+ 180.138850 145.4
[M+HCOO]- 242.139791 167.2
[M+CH3COO]- 256.155441 183.6
[M+Na-2H]- 218.116256 152.1
[M]+ 197.14104142 150.1
[M]- 197.14213858 150.1
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