CID 20575

Nsc 94102

Structural Information

Molecular Formula
C8H16N
SMILES
C[N+]1(CC2CCC1C2)C
InChI
InChI=1S/C8H16N/c1-9(2)6-7-3-4-8(9)5-7/h7-8H,3-6H2,1-2H3/q+1
InChIKey
OZGHXFORYKCXPS-UHFFFAOYSA-N
Compound name
2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

126.12827 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.135546 126.7
[M+Na]+ 149.117488 134.9
[M-H]- 125.120994 128.7
[M+NH4]+ 144.162093 154.9
[M+K]+ 165.091428 128.1
[M+H-H2O]+ 109.125530 125.2
[M+HCOO]- 171.126471 146.8
[M+CH3COO]- 185.142121 165.8
[M+Na-2H]- 147.102936 134.2
[M]+ 126.12772142 123.5
[M]- 126.12881858 123.5
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

patents stripe