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

12
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 156.6
[M+Na]+ 249.15734 162.7
[M-H]- 225.16084 157.4
[M+NH4]+ 244.20194 180.2
[M+K]+ 265.13128 161.3
[M+H-H2O]+ 209.16538 152.3
[M+HCOO]- 271.16632 174.0
[M+CH3COO]- 285.18197 190.3
[M+Na-2H]- 247.14279 159.3
[M]+ 226.16757 155.8
[M]- 226.16867 155.8
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