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]+ 127.13555 126.7
[M+Na]+ 149.11749 134.9
[M-H]- 125.12099 128.7
[M+NH4]+ 144.16209 154.9
[M+K]+ 165.09143 128.1
[M+H-H2O]+ 109.12553 125.2
[M+HCOO]- 171.12647 146.8
[M+CH3COO]- 185.14212 165.8
[M+Na-2H]- 147.10294 134.2
[M]+ 126.12772 123.5
[M]- 126.12882 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