CID 15174712

2-ethynylbicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C9H12
SMILES
C#CC1CC2CCC1C2
InChI
InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h1,7-9H,3-6H2
InChIKey
QCTKYLGLQSQNPD-UHFFFAOYSA-N
Compound name
2-ethynylbicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

120.0939 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.101176 129.2
[M+Na]+ 143.083118 140.0
[M-H]- 119.086624 131.0
[M+NH4]+ 138.127723 154.1
[M+K]+ 159.057058 133.9
[M+H-H2O]+ 103.091160 119.2
[M+HCOO]- 165.092101 145.3
[M+CH3COO]- 179.107751 141.9
[M+Na-2H]- 141.068566 132.4
[M]+ 120.09335142 122.0
[M]- 120.09444858 122.0
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