CID 157894

83286-26-4

Structural Information

Molecular Formula
C8H16N
SMILES
C[N+]12CCCCC1CC2
InChI
InChI=1S/C8H16N/c1-9-6-3-2-4-8(9)5-7-9/h8H,2-7H2,1H3/q+1
InChIKey
UGNSEKDCGJJTHK-UHFFFAOYSA-N
Compound name
1-methyl-1-azoniabicyclo[4.2.0]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

126.12827 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.135546 121.9
[M+Na]+ 149.117488 127.4
[M-H]- 125.120994 124.9
[M+NH4]+ 144.162093 139.3
[M+K]+ 165.091428 123.8
[M+H-H2O]+ 109.125530 115.0
[M+HCOO]- 171.126471 139.2
[M+CH3COO]- 185.142121 169.0
[M+Na-2H]- 147.102936 132.4
[M]+ 126.12772142 125.0
[M]- 126.12881858 125.0
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.