CID 85377351

7,7-dimethyl-2-azabicyclo[4.1.1]octan-3-one

Structural Information

Molecular Formula
C9H15NO
SMILES
CC1(C2CCC(=O)NC1C2)C
InChI
InChI=1S/C9H15NO/c1-9(2)6-3-4-8(11)10-7(9)5-6/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKey
QWIDXVHOGOXFLU-UHFFFAOYSA-N
Compound name
7,7-dimethyl-2-azabicyclo[4.1.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 155.1
[M+Na]+ 176.10459 163.8
[M-H]- 152.10809 156.5
[M+NH4]+ 171.14919 172.1
[M+K]+ 192.07853 160.9
[M+H-H2O]+ 136.11263 153.2
[M+HCOO]- 198.11357 165.9
[M+CH3COO]- 212.12922 164.7
[M+Na-2H]- 174.09004 162.8
[M]+ 153.11482 160.3
[M]- 153.11592 160.3
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.