CID 165801335

En300-37468755

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H]1CNC2
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-6-9-4-5-10(11)8-14-7-9/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9-,10-,11+/m0/s1
InChIKey
UOAGLWQTEFZDBG-GARJFASQSA-N
Compound name
tert-butyl N-[(1S,5S,6R)-3-azabicyclo[3.2.2]nonan-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 163.9
[M+Na]+ 263.17300 169.5
[M-H]- 239.17650 162.9
[M+NH4]+ 258.21760 181.9
[M+K]+ 279.14694 168.1
[M+H-H2O]+ 223.18104 164.0
[M+HCOO]- 285.18198 171.9
[M+CH3COO]- 299.19763 206.4
[M+Na-2H]- 261.15845 172.3
[M]+ 240.18323 161.6
[M]- 240.18433 161.6
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.