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]+ 182.15395 143.9
[M+Na]+ 204.13589 150.7
[M-H]- 180.13939 145.1
[M+NH4]+ 199.18049 166.5
[M+K]+ 220.10983 148.7
[M+H-H2O]+ 164.14393 139.1
[M+HCOO]- 226.14487 159.9
[M+CH3COO]- 240.16052 183.2
[M+Na-2H]- 202.12134 148.0
[M]+ 181.14612 141.7
[M]- 181.14722 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.