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]+ 127.13555 121.9
[M+Na]+ 149.11749 127.4
[M-H]- 125.12099 124.9
[M+NH4]+ 144.16209 139.3
[M+K]+ 165.09143 123.8
[M+H-H2O]+ 109.12553 115.0
[M+HCOO]- 171.12647 139.2
[M+CH3COO]- 185.14212 169.0
[M+Na-2H]- 147.10294 132.4
[M]+ 126.12772 125.0
[M]- 126.12882 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.