CID 135392323

2940964-04-3

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

4
Patents

107.0735 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.080776 136.0
[M+Na]+ 130.062718 142.5
[M-H]- 106.066224 139.2
[M+NH4]+ 125.107323 143.7
[M+K]+ 146.036658 147.3
[M+H-H2O]+ 90.070760 120.9
[M+HCOO]- 152.071701 146.7
[M+CH3COO]- 166.087351 207.2
[M+Na-2H]- 128.048166 143.1
[M]+ 107.07295142 152.9
[M]- 107.07404858 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