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

18
Patents

123.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 123.6
[M+Na]+ 146.09402 128.6
[M-H]- 122.09752 120.5
[M+NH4]+ 141.13862 150.1
[M+K]+ 162.06796 126.5
[M+H-H2O]+ 106.10206 119.9
[M+HCOO]- 168.10300 138.1
[M+CH3COO]- 182.11865 135.6
[M+Na-2H]- 144.07947 136.0
[M]+ 123.10425 122.3
[M]- 123.10535 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