CID 550214

Bicyclo[2.2.2]octan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H15N
SMILES
C1CC2(CCC1CC2)N
InChI
InChI=1S/C8H15N/c9-8-4-1-7(2-5-8)3-6-8/h7H,1-6,9H2
InChIKey
VCLQDVVELGHZMQ-UHFFFAOYSA-N
Compound name
bicyclo[2.2.2]octan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

335
Patents

125.12045 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.12773 126.6
[M+Na]+ 148.10967 130.8
[M-H]- 124.11317 123.0
[M+NH4]+ 143.15427 154.5
[M+K]+ 164.08361 128.6
[M+H-H2O]+ 108.11771 122.5
[M+HCOO]- 170.11865 139.5
[M+CH3COO]- 184.13430 137.9
[M+Na-2H]- 146.09512 139.2
[M]+ 125.11990 123.7
[M]- 125.12100 123.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe