CID 137964044

Tert-butyl (1s,2r,4r)-2-(iodomethyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate

Structural Information

Molecular Formula
C12H20INO2
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C2)CI
InChI
InChI=1S/C12H20INO2/c1-12(2,3)16-11(15)14-9-4-5-10(14)8(6-9)7-13/h8-10H,4-7H2,1-3H3/t8-,9+,10-/m0/s1
InChIKey
LPTBRFBUACUIOQ-AEJSXWLSSA-N
Compound name
tert-butyl (1S,2R,4R)-2-(iodomethyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0539 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06118 160.1
[M+Na]+ 360.04312 160.0
[M-H]- 336.04662 154.8
[M+NH4]+ 355.08772 177.5
[M+K]+ 376.01706 164.3
[M+H-H2O]+ 320.05116 152.3
[M+HCOO]- 382.05210 172.4
[M+CH3COO]- 396.06775 198.5
[M+Na-2H]- 358.02857 149.7
[M]+ 337.05335 158.7
[M]- 337.05445 158.7
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

No patent data available for this compound.