CID 123866378

4-ethynylbicyclo[2.2.2]octan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H15N
SMILES
C#CC12CCC(CC1)(CC2)N
InChI
InChI=1S/C10H15N/c1-2-9-3-6-10(11,7-4-9)8-5-9/h1H,3-8,11H2
InChIKey
QGXZJYCNRJREQC-UHFFFAOYSA-N
Compound name
4-ethynylbicyclo[2.2.2]octan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

149.12045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.127726 141.2
[M+Na]+ 172.109668 150.8
[M-H]- 148.113174 138.3
[M+NH4]+ 167.154273 167.5
[M+K]+ 188.083608 140.7
[M+H-H2O]+ 132.117710 132.1
[M+HCOO]- 194.118651 149.4
[M+CH3COO]- 208.134301 151.1
[M+Na-2H]- 170.095116 151.9
[M]+ 149.11990142 134.3
[M]- 149.12099858 134.3
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