CID 43810815

3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one

Structural Information

Molecular Formula
C11H19NO
SMILES
CC(C)(C)N1CC2CCC(C1)C2=O
InChI
InChI=1S/C11H19NO/c1-11(2,3)12-6-8-4-5-9(7-12)10(8)13/h8-9H,4-7H2,1-3H3
InChIKey
ULYNZYHJGBWFLO-UHFFFAOYSA-N
Compound name
3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 143.9
[M+Na]+ 204.135888 150.7
[M-H]- 180.139394 145.1
[M+NH4]+ 199.180493 166.5
[M+K]+ 220.109828 148.7
[M+H-H2O]+ 164.143930 139.1
[M+HCOO]- 226.144871 159.9
[M+CH3COO]- 240.160521 183.2
[M+Na-2H]- 202.121336 148.0
[M]+ 181.14612142 141.7
[M]- 181.14721858 141.7
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.