CID 145867285

Rac-tert-butyl n-{[(1r,2r,4s)-7-azabicyclo[2.2.1]heptan-2-yl]methyl}carbamate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)13-7-8-6-9-4-5-10(8)14-9/h8-10,14H,4-7H2,1-3H3,(H,13,15)/t8-,9+,10-/m0/s1
InChIKey
NMRGOYHLQKSBBA-AEJSXWLSSA-N
Compound name
tert-butyl N-[[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 157.4
[M+Na]+ 249.157338 162.0
[M-H]- 225.160844 157.1
[M+NH4]+ 244.201943 178.6
[M+K]+ 265.131278 160.2
[M+H-H2O]+ 209.165380 152.5
[M+HCOO]- 271.166321 174.0
[M+CH3COO]- 285.181971 188.9
[M+Na-2H]- 247.142786 159.4
[M]+ 226.16757142 155.4
[M]- 226.16866858 155.4
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.