CID 102452879

1-ethynyl-1,1'-bi(cyclopropane)

Structural Information

Molecular Formula
C8H10
SMILES
C#CC1(CC1)C2CC2
InChI
InChI=1S/C8H10/c1-2-8(5-6-8)7-3-4-7/h1,7H,3-6H2
InChIKey
NJHXIWJLMNRPAX-UHFFFAOYSA-N
Compound name
1-cyclopropyl-1-ethynylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

106.07825 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.085526 126.3
[M+Na]+ 129.067468 143.9
[M-H]- 105.070974 135.9
[M+NH4]+ 124.112073 141.0
[M+K]+ 145.041408 137.8
[M+H-H2O]+ 89.075510 121.4
[M+HCOO]- 151.076451 145.1
[M+CH3COO]- 165.092101 191.1
[M+Na-2H]- 127.052916 134.8
[M]+ 106.07770142 127.9
[M]- 106.07879858 127.9
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

No patent data available for this compound.