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]+ 154.122646 155.1
[M+Na]+ 176.104588 163.8
[M-H]- 152.108094 156.5
[M+NH4]+ 171.149193 172.1
[M+K]+ 192.078528 160.9
[M+H-H2O]+ 136.112630 153.2
[M+HCOO]- 198.113571 165.9
[M+CH3COO]- 212.129221 164.7
[M+Na-2H]- 174.090036 162.8
[M]+ 153.11482142 160.3
[M]- 153.11591858 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.