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

61
Patents

197.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 149.8
[M+Na]+ 220.13081 156.3
[M-H]- 196.13431 151.2
[M+NH4]+ 215.17541 173.3
[M+K]+ 236.10475 155.5
[M+H-H2O]+ 180.13885 145.4
[M+HCOO]- 242.13979 167.2
[M+CH3COO]- 256.15544 183.6
[M+Na-2H]- 218.11626 152.1
[M]+ 197.14104 150.1
[M]- 197.14214 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