CID 165603860

Rac-tert-butyl n-{[(1r,4s,5s)-2-azabicyclo[2.2.1]heptan-5-yl]methyl}carbamate hydrochloride

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2C[C@H]1CN2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-5-10-4-8(9)6-13-10/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9-,10-/m0/s1
InChIKey
IZSYFEVGCHDPSL-GUBZILKMSA-N
Compound name
tert-butyl N-[[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 157.4
[M+Na]+ 249.15734 162.0
[M-H]- 225.16084 157.1
[M+NH4]+ 244.20194 178.6
[M+K]+ 265.13128 160.2
[M+H-H2O]+ 209.16538 152.5
[M+HCOO]- 271.16632 174.0
[M+CH3COO]- 285.18197 188.9
[M+Na-2H]- 247.14279 159.4
[M]+ 226.16757 155.4
[M]- 226.16867 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.