CID 548985

2-ethenylbicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C9H14
SMILES
C=CC1CC2CCC1C2
InChI
InChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h2,7-9H,1,3-6H2
InChIKey
PFUYSXSIHCSVJJ-UHFFFAOYSA-N
Compound name
2-ethenylbicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1443
Patents

122.10955 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.116826 128.8
[M+Na]+ 145.098768 136.0
[M-H]- 121.102274 131.5
[M+NH4]+ 140.143373 156.4
[M+K]+ 161.072708 133.7
[M+H-H2O]+ 105.106810 124.9
[M+HCOO]- 167.107751 150.3
[M+CH3COO]- 181.123401 172.0
[M+Na-2H]- 143.084216 132.4
[M]+ 122.10900142 126.2
[M]- 122.11009858 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe