CID 135392323

3-ethynylbicyclo[1.1.1]pentan-1-amine;hydrochloride

Structural Information

Molecular Formula
C7H9N
SMILES
C#CC12CC(C1)(C2)N
InChI
InChI=1S/C7H9N/c1-2-6-3-7(8,4-6)5-6/h1H,3-5,8H2
InChIKey
XDCYIJVOWWNCOT-UHFFFAOYSA-N
Compound name
3-ethynylbicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

107.0735 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.08078 136.0
[M+Na]+ 130.06272 142.5
[M-H]- 106.06622 139.2
[M+NH4]+ 125.10732 143.7
[M+K]+ 146.03666 147.3
[M+H-H2O]+ 90.070760 120.9
[M+HCOO]- 152.07170 146.7
[M+CH3COO]- 166.08735 207.2
[M+Na-2H]- 128.04817 143.1
[M]+ 107.07295 152.9
[M]- 107.07405 152.9
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