CID 13003781

Bicyclo[2.2.2]oct-5-en-2-amine hydrochloride

Structural Information

Molecular Formula
C8H13N
SMILES
C1CC2C=CC1CC2N
InChI
InChI=1S/C8H13N/c9-8-5-6-1-3-7(8)4-2-6/h1,3,6-8H,2,4-5,9H2
InChIKey
SHTMBSFKOKRCSH-UHFFFAOYSA-N
Compound name
bicyclo[2.2.2]oct-5-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

123.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 123.6
[M+Na]+ 146.094018 128.6
[M-H]- 122.097524 120.5
[M+NH4]+ 141.138623 150.1
[M+K]+ 162.067958 126.5
[M+H-H2O]+ 106.102060 119.9
[M+HCOO]- 168.103001 138.1
[M+CH3COO]- 182.118651 135.6
[M+Na-2H]- 144.079466 136.0
[M]+ 123.10425142 122.3
[M]- 123.10534858 122.3
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

patents stripe