CID 117816272

Tert-butyl 1-(aminomethyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1C2CCC1(CC2)CN
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-4-6-12(14,8-13)7-5-9/h9H,4-8,13H2,1-3H3
InChIKey
WKMITBBEIJTYRX-UHFFFAOYSA-N
Compound name
tert-butyl 1-(aminomethyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

226.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 153.1
[M+Na]+ 249.15734 158.5
[M+NH4]+ 244.20194 161.6
[M+K]+ 265.13128 156.8
[M-H]- 225.16084 151.3
[M+Na-2H]- 247.14279 153.9
[M]+ 226.16757 153.0
[M]- 226.16867 153.0
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